9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene

C35H25F — CID 135164405

IUPAC9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene
SMILESFc1cccc(-c2ccc3c(c2)C(c2ccc4c(c2)CC4)(c2ccc4c(c2)CC4)c2ccccc2-3)c1
InChIInChI=1S/C35H25F/c36-30-5-3-4-24(20-30)27-14-17-32-31-6-1-2-7-33(31)35(34(32)21-27,28-15-12-22-8-10-25(22)18-28)29-16-13-23-9-11-26(23)19-29/h1-7,12-21H,8-11H2
InChIKeyZZPGBJMCLANLBC-UHFFFAOYSA-N
MW464.58 g/mol
LogP8.05
Rot. Bonds3

About 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene (PubChem CID 135164405) has the molecular formula C35H25F and a molecular weight of 464.58 g/mol. Its IUPAC name is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene.

Molecular Properties

Compound Name9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene
PubChem CID135164405
Molecular FormulaC35H25F
Molecular Weight464.58 g/mol
Exact Mass464.19
IUPAC Name9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene
SMILESFc1cccc(-c2ccc3c(c2)C(c2ccc4c(c2)CC4)(c2ccc4c(c2)CC4)c2ccccc2-3)c1
InChIInChI=1S/C35H25F/c36-30-5-3-4-24(20-30)27-14-17-32-31-6-1-2-7-33(31)35(34(32)21-27,28-15-12-22-8-10-25(22)18-28)29-16-13-23-9-11-26(23)19-29/h1-7,12-21H,8-11H2
InChIKeyZZPGBJMCLANLBC-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.58
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene
CID 58142034
5-(3-fluorophenyl)-2,3-dihydro-1H-indene
CID 54342765
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine
CID 167019644
2-[2-[9-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];2-[3-[9-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[3-[9-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[4-[9-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene]
CID 158592384
1-N,3-N-bis[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-N,3-N-bis[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzene-1,3-diamine
CID 170152967
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
N-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)fluoren-4-yl]-2',7'-ditert-butyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134415484
1-N,3-N-bis[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-N,3-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 170152963
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene?
The IUPAC name of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene (CID 135164405) is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene.
What is the SMILES notation for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene?
The canonical SMILES for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene is Fc1cccc(-c2ccc3c(c2)C(c2ccc4c(c2)CC4)(c2ccc4c(c2)CC4)c2ccccc2-3)c1.
What is the InChIKey of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene?
The InChIKey is ZZPGBJMCLANLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25F/c36-30-5-3-4-24(20-30)27-14-17-32-31-6-1-2-7-33(31)35(34(32)21-27,28-15-12-22-8-10-25(22)18-28)29-16-13-23-9-11-26(23)19-29/h1-7,12-21H,8-11H2.
What are the key properties of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene?
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene has a molecular weight of 464.58 g/mol, XLogP of 8.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene is sourced from PubChem (CID 135164405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).