9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene

C46H32 — CID 59755354

IUPAC9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3c1-2
InChIInChI=1S/C46H32/c1-31-20-27-41-43(28-31)46(37-14-4-2-5-15-37,38-16-6-3-7-17-38)44-30-42(39-18-10-11-19-40(39)45(41)44)34-24-21-33(22-25-34)36-26-23-32-12-8-9-13-35(32)29-36/h2-30H,1H3
InChIKeyCMRPOLKIZIZITH-UHFFFAOYSA-N
MW584.76 g/mol
LogP12.00
Rot. Bonds4

About 9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene

9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene (PubChem CID 59755354) has the molecular formula C46H32 and a molecular weight of 584.76 g/mol. Its IUPAC name is 9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene.

Molecular Properties

Compound Name9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
PubChem CID59755354
Molecular FormulaC46H32
Molecular Weight584.76 g/mol
Exact Mass584.25
IUPAC Name9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3c1-2
InChIInChI=1S/C46H32/c1-31-20-27-41-43(28-31)46(37-14-4-2-5-15-37,38-16-6-3-7-17-38)44-30-42(39-18-10-11-19-40(39)45(41)44)34-24-21-33(22-25-34)36-26-23-32-12-8-9-13-35(32)29-36/h2-30H,1H3
InChIKeyCMRPOLKIZIZITH-UHFFFAOYSA-N
XLogP12.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.76
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene with MolForge

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Related Compounds

5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 59755304
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034549
4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole
CID 135249763
7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene
CID 158070567
5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034342
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;1-[4-(4-methylphenyl)phenyl]naphthalene;2-[4-(4-methylphenyl)phenyl]naphthalene
CID 157431212
5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
CID 142714191
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
7-(4-methylphenyl)-7-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 144583282

Frequently Asked Questions

What is the IUPAC name of 9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene?
The IUPAC name of 9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene (CID 59755354) is 9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene.
What is the SMILES notation for 9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene?
The canonical SMILES for 9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3c1-2.
What is the InChIKey of 9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene?
The InChIKey is CMRPOLKIZIZITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32/c1-31-20-27-41-43(28-31)46(37-14-4-2-5-15-37,38-16-6-3-7-17-38)44-30-42(39-18-10-11-19-40(39)45(41)44)34-24-21-33(22-25-34)36-26-23-32-12-8-9-13-35(32)29-36/h2-30H,1H3.
What are the key properties of 9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene?
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene has a molecular weight of 584.76 g/mol, XLogP of 12.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene is sourced from PubChem (CID 59755354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).