9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole

C38H28N2 — CID 134359342

IUPAC9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4C)ccc21
InChIInChI=1S/C38H28N2/c1-39-35-11-7-6-10-31(35)32-23-29(17-20-36(32)39)30-18-21-38-34(24-30)33-22-28(16-19-37(33)40(38)2)27-14-12-26(13-15-27)25-8-4-3-5-9-25/h3-24H,1-2H3
InChIKeyVTNNOLZPCBKQAO-UHFFFAOYSA-N
MW512.66 g/mol
LogP9.98
Rot. Bonds3

About 9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole

9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole (PubChem CID 134359342) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
PubChem CID134359342
Molecular FormulaC38H28N2
Molecular Weight512.66 g/mol
Exact Mass512.23
IUPAC Name9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4C)ccc21
InChIInChI=1S/C38H28N2/c1-39-35-11-7-6-10-31(35)32-23-29(17-20-36(32)39)30-18-21-38-34(24-30)33-22-28(16-19-37(33)40(38)2)27-14-12-26(13-15-27)25-8-4-3-5-9-25/h3-24H,1-2H3
InChIKeyVTNNOLZPCBKQAO-UHFFFAOYSA-N
XLogP9.98
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
10-methyl-2-phenylacridin-9-one
CID 18533849
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 126632601
3,9-dimethyl-6-phenylcarbazole
CID 59499447
9-methylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-(2-methylphenyl)carbazole;9-methyl-3-(4-methylphenyl)carbazole;9-methyl-3-phenylcarbazole
CID 157294654
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
CID 118335035
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole?
The IUPAC name of 9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole (CID 134359342) is 9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole.
What is the SMILES notation for 9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole?
The canonical SMILES for 9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole is Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4C)ccc21.
What is the InChIKey of 9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole?
The InChIKey is VTNNOLZPCBKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2/c1-39-35-11-7-6-10-31(35)32-23-29(17-20-36(32)39)30-18-21-38-34(24-30)33-22-28(16-19-37(33)40(38)2)27-14-12-26(13-15-27)25-8-4-3-5-9-25/h3-24H,1-2H3.
What are the key properties of 9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole?
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole has a molecular weight of 512.66 g/mol, XLogP of 9.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole is sourced from PubChem (CID 134359342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).