9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene

C29H18BrF — CID 140964009

IUPAC9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene
SMILESFc1cccc2c3c(ccc12)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-3
InChIInChI=1S/C29H18BrF/c30-21-14-15-24-26(18-21)29(19-8-3-1-4-9-19,20-10-5-2-6-11-20)25-17-16-22-23(28(24)25)12-7-13-27(22)31/h1-18H
InChIKeyBOZCTWVLVXVPPY-UHFFFAOYSA-N
MW465.37 g/mol
LogP8.10
Rot. Bonds2

About 9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene

9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene (PubChem CID 140964009) has the molecular formula C29H18BrF and a molecular weight of 465.37 g/mol. Its IUPAC name is 9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene.

Molecular Properties

Compound Name9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene
PubChem CID140964009
Molecular FormulaC29H18BrF
Molecular Weight465.37 g/mol
Exact Mass464.06
IUPAC Name9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene
SMILESFc1cccc2c3c(ccc12)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-3
InChIInChI=1S/C29H18BrF/c30-21-14-15-24-26(18-21)29(19-8-3-1-4-9-19,20-10-5-2-6-11-20)25-17-16-22-23(28(24)25)12-7-13-27(22)31/h1-18H
InChIKeyBOZCTWVLVXVPPY-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.37
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-bromo-6,6-diphenylindeno[2,1-b][1]benzothiole
CID 144856808
5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
CID 142714191
9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene
CID 154966229
7,7-diphenylbenzo[g]fluoren-9-amine
CID 134361009
9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034390
2-(2,6-dibromo-10,10-diphenylanthracen-9-ylidene)propanedinitrile
CID 147587390
CID 134272960
CID 134272960
3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran
CID 155318563
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
2,5-dibromo-9,9-bis(4-methylphenyl)fluorene
CID 91316230

Frequently Asked Questions

What is the IUPAC name of 9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene?
The IUPAC name of 9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene (CID 140964009) is 9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene.
What is the SMILES notation for 9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene?
The canonical SMILES for 9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene is Fc1cccc2c3c(ccc12)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-3.
What is the InChIKey of 9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene?
The InChIKey is BOZCTWVLVXVPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18BrF/c30-21-14-15-24-26(18-21)29(19-8-3-1-4-9-19,20-10-5-2-6-11-20)25-17-16-22-23(28(24)25)12-7-13-27(22)31/h1-18H.
What are the key properties of 9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene?
9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene has a molecular weight of 465.37 g/mol, XLogP of 8.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-4-fluoro-7,7-diphenylbenzo[c]fluorene is sourced from PubChem (CID 140964009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).