3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole

C47H32N2 — CID 144560287

IUPAC3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
SMILESCc1cc(-c2ccc3ccccc3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1
InChIInChI=1S/C47H32N2/c1-31-25-37(34-20-19-32-11-5-6-12-33(32)27-34)28-39(26-31)49-45-18-10-8-16-41(45)43-30-36(22-24-47(43)49)35-21-23-46-42(29-35)40-15-7-9-17-44(40)48(46)38-13-3-2-4-14-38/h2-30H,1H3
InChIKeyULIZSSSZWGKHRO-UHFFFAOYSA-N
MW624.79 g/mol
LogP12.68
Rot. Bonds4

About 3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 144560287) has the molecular formula C47H32N2 and a molecular weight of 624.79 g/mol. Its IUPAC name is 3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID144560287
Molecular FormulaC47H32N2
Molecular Weight624.79 g/mol
Exact Mass624.26
IUPAC Name3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
SMILESCc1cc(-c2ccc3ccccc3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1
InChIInChI=1S/C47H32N2/c1-31-25-37(34-20-19-32-11-5-6-12-33(32)27-34)28-39(26-31)49-45-18-10-8-16-41(45)43-30-36(22-24-47(43)49)35-21-23-46-42(29-35)40-15-7-9-17-44(40)48(46)38-13-3-2-4-14-38/h2-30H,1H3
InChIKeyULIZSSSZWGKHRO-UHFFFAOYSA-N
XLogP12.68
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.79
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-[3,5-bis(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-dimethylphenyl)carbazol-2-yl]-9-(3,5-diphenylphenyl)carbazole;2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159304245
3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370775
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole
CID 170671261
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 126764159
3-[9-[3-(3,5-diphenylphenyl)-5-methylphenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144560195
3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307155
3-[9-[3-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370607
3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-[9-(3,5-dimethylphenyl)carbazol-2-yl]-9-[4-(3,5-dimethylphenyl)phenyl]carbazole;2-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 159256804

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole (CID 144560287) is 3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole is Cc1cc(-c2ccc3ccccc3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1.
What is the InChIKey of 3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is ULIZSSSZWGKHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2/c1-31-25-37(34-20-19-32-11-5-6-12-33(32)27-34)28-39(26-31)49-45-18-10-8-16-41(45)43-30-36(22-24-47(43)49)35-21-23-46-42(29-35)40-15-7-9-17-44(40)48(46)38-13-3-2-4-14-38/h2-30H,1H3.
What are the key properties of 3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 624.79 g/mol, XLogP of 12.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-methyl-5-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 144560287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).