5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene

C30H21Br — CID 142714191

IUPAC5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)c3ccccc3c1-2
InChIInChI=1S/C30H21Br/c1-20-16-17-25-26(18-20)30(21-10-4-2-5-11-21,22-12-6-3-7-13-22)27-19-28(31)23-14-8-9-15-24(23)29(25)27/h2-19H,1H3
InChIKeyBKGQKPUFXQTPHE-UHFFFAOYSA-N
MW461.40 g/mol
LogP8.27
Rot. Bonds2

About 5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene

5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene (PubChem CID 142714191) has the molecular formula C30H21Br and a molecular weight of 461.40 g/mol. Its IUPAC name is 5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene.

Molecular Properties

Compound Name5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
PubChem CID142714191
Molecular FormulaC30H21Br
Molecular Weight461.40 g/mol
Exact Mass460.08
IUPAC Name5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)c3ccccc3c1-2
InChIInChI=1S/C30H21Br/c1-20-16-17-25-26(18-20)30(21-10-4-2-5-11-21,22-12-6-3-7-13-22)27-19-28(31)23-14-8-9-15-24(23)29(25)27/h2-19H,1H3
InChIKeyBKGQKPUFXQTPHE-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.40
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile
CID 144613202
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
9-bromo-5-methoxy-7,7-bis(4-methylphenyl)benzo[c]fluorene
CID 154966229
5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134354213
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134240897
N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine
CID 144614658
7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
CID 140661825
7-(4-methylphenyl)-7-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 144583282
4-bromo-2,7,9-trimethyl-9-phenylfluorene
CID 166464478
2-deuterio-7-methyl-9,9-diphenylfluorene
CID 59886082

Frequently Asked Questions

What is the IUPAC name of 5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene?
The IUPAC name of 5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene (CID 142714191) is 5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene.
What is the SMILES notation for 5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene?
The canonical SMILES for 5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)c3ccccc3c1-2.
What is the InChIKey of 5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene?
The InChIKey is BKGQKPUFXQTPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Br/c1-20-16-17-25-26(18-20)30(21-10-4-2-5-11-21,22-12-6-3-7-13-22)27-19-28(31)23-14-8-9-15-24(23)29(25)27/h2-19H,1H3.
What are the key properties of 5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene?
5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene has a molecular weight of 461.40 g/mol, XLogP of 8.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene is sourced from PubChem (CID 142714191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).