8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene

C42H30 — CID 158761920

IUPAC8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene
SMILESCc1ccc2c(c1)-c1ccc3ccccc3c1C2(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H30/c1-29-16-27-40-39(28-29)38-26-21-34-14-8-9-15-37(34)41(38)42(40,35-22-17-32(18-23-35)30-10-4-2-5-11-30)36-24-19-33(20-25-36)31-12-6-3-7-13-31/h2-28H,1H3
InChIKeySPIAVGNUJJHXQG-UHFFFAOYSA-N
MW534.70 g/mol
LogP10.85
Rot. Bonds4

About 8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene

8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene (PubChem CID 158761920) has the molecular formula C42H30 and a molecular weight of 534.70 g/mol. Its IUPAC name is 8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene.

Molecular Properties

Compound Name8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene
PubChem CID158761920
Molecular FormulaC42H30
Molecular Weight534.70 g/mol
Exact Mass534.23
IUPAC Name8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene
SMILESCc1ccc2c(c1)-c1ccc3ccccc3c1C2(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H30/c1-29-16-27-40-39(28-29)38-26-21-34-14-8-9-15-37(34)41(38)42(40,35-22-17-32(18-23-35)30-10-4-2-5-11-30)36-24-19-33(20-25-36)31-12-6-3-7-13-31/h2-28H,1H3
InChIKeySPIAVGNUJJHXQG-UHFFFAOYSA-N
XLogP10.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
7'-(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 145353249
7-(4-methylphenyl)-7-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 144583282
2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465843
2-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778060
4-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776790
2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-bis(4-methylphenyl)fluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9-(4-methylphenyl)-9-(4-phenylphenyl)fluorene;4-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-pyren-4-ylfluoren-2-yl]pyrene
CID 157226056
3-phenanthren-9-yl-11,11-diphenylbenzo[a]fluorene
CID 166034552
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465659
2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 155465388
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 162487428

Frequently Asked Questions

What is the IUPAC name of 8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene?
The IUPAC name of 8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene (CID 158761920) is 8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene.
What is the SMILES notation for 8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene?
The canonical SMILES for 8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene is Cc1ccc2c(c1)-c1ccc3ccccc3c1C2(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene?
The InChIKey is SPIAVGNUJJHXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30/c1-29-16-27-40-39(28-29)38-26-21-34-14-8-9-15-37(34)41(38)42(40,35-22-17-32(18-23-35)30-10-4-2-5-11-30)36-24-19-33(20-25-36)31-12-6-3-7-13-31/h2-28H,1H3.
What are the key properties of 8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene?
8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene has a molecular weight of 534.70 g/mol, XLogP of 10.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene is sourced from PubChem (CID 158761920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).