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9,9'-Spirobi[9H-fluorene](CAS No. 159-66-0)

9,9'-Spirobi[9H-fluorene] C25H16 (cas 159-66-0) Molecular Structure

159-66-0 Structure

Identification and Related Records

【Name】
9,9'-Spirobi[9H-fluorene]
【Iupac name】
9,9'-spirobi[fluorene]
【CAS Registry number】
159-66-0
【Synonyms】
9,9'-Spirobifluorene(7CI,8CI)
9,9-Spirobifluorene
Bis(2,2'-biphenylene)methane
Spirobifluorene
spiro-Difluorene
【Molecular Formula】
C25H16 (Products with the same molecular formula)
【Molecular Weight】
316.4
【Inchi】
InChI=1/C25H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-16H
【InChIKey】
SNFCXVRWFNAHQX-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=CC=CC=C5C6=CC=CC=C46
【MOL File】
159-66-0.mol

Chemical and Physical Properties

【Appearance】
white crystal
【Density】
1.28 g/cm3
【Melting Point】
202 °C
【Boiling Point】
474.9 °C at 760 mmHg
【Vapour】
9.93E-09mmHg at 25°C
【Refractive Index】
1.757
【Flash Point】
236.8 °C
【Computed Properties】
Molecular Weight:316.39454 [g/mol]
Molecular Formula:C25H16
XLogP3-AA:6.4
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:0
Exact Mass:316.125201
MonoIsotopic Mass:316.125201
Topological Polar Surface Area:0
Heavy Atom Count:25
Formal Charge:0
Complexity:413
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:6
Effective Rotor Count:0
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Specification】

Form molecular structure of 9,9'-Spirobi(9H-fluorene) (CAS NO.159-66-0) ,we can know:
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=CC=CC=C5C6=CC=CC=C46
InChI: InChI=1S/C25H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-16H
InChIKey: SNFCXVRWFNAHQX-UHFFFAOYSA-N

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