6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine

C38H30N2 — CID 121465257

IUPAC6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine
SMILESCn1c2ccc(-c3cccc(Cc4ccccc4)c3)cc2c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C38H30N2/c1-39-37-23-20-31(30-15-11-14-29(25-30)24-28-12-5-2-6-13-28)26-36(37)35-22-21-34(27-38(35)39)40(32-16-7-3-8-17-32)33-18-9-4-10-19-33/h2-23,25-27H,24H2,1H3
InChIKeyPPUPKRBTXMQJQT-UHFFFAOYSA-N
MW514.67 g/mol
LogP10.06
Rot. Bonds6

About 6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine

6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine (PubChem CID 121465257) has the molecular formula C38H30N2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine.

Molecular Properties

Compound Name6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine
PubChem CID121465257
Molecular FormulaC38H30N2
Molecular Weight514.67 g/mol
Exact Mass514.24
IUPAC Name6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine
SMILESCn1c2ccc(-c3cccc(Cc4ccccc4)c3)cc2c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C38H30N2/c1-39-37-23-20-31(30-15-11-14-29(25-30)24-28-12-5-2-6-13-28)26-36(37)35-22-21-34(27-38(35)39)40(32-16-7-3-8-17-32)33-18-9-4-10-19-33/h2-23,25-27H,24H2,1H3
InChIKeyPPUPKRBTXMQJQT-UHFFFAOYSA-N
XLogP10.06
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 126631207
6-(7-carbazol-9-yl-9-methylcarbazol-3-yl)-9-methyl-N,N-diphenylcarbazol-2-amine
CID 147602808
N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine
CID 147401277
3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802
N-[4-(9-methylcarbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 126631436
N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 126631424
N-(4-carbazol-9-ylphenyl)-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 59501739
N,9-diphenyl-N-[3-[2-[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]carbazol-2-amine;N,9-diphenyl-N-[4-[2-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]carbazol-2-amine;N,9-diphenyl-N-[4-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]carbazol-2-amine;9-methyl-N-[3-[2-[3-(N-(9-methylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]-N-phenylcarbazol-2-amine;9-methyl-N-[4-[2-[4-(N-(9-methylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]-N-phenylcarbazol-2-amine;9-methyl-N-[4-[3-[4-(N-(9-methylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 158692781
4-(7-methylbenzo[g]carbazol-9-yl)-N,N-diphenylaniline
CID 126631165
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
9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
CID 159037190

Frequently Asked Questions

What is the IUPAC name of 6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine?
The IUPAC name of 6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine (CID 121465257) is 6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine.
What is the SMILES notation for 6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine?
The canonical SMILES for 6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine is Cn1c2ccc(-c3cccc(Cc4ccccc4)c3)cc2c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine?
The InChIKey is PPUPKRBTXMQJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2/c1-39-37-23-20-31(30-15-11-14-29(25-30)24-28-12-5-2-6-13-28)26-36(37)35-22-21-34(27-38(35)39)40(32-16-7-3-8-17-32)33-18-9-4-10-19-33/h2-23,25-27H,24H2,1H3.
What are the key properties of 6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine?
6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine has a molecular weight of 514.67 g/mol, XLogP of 10.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine is sourced from PubChem (CID 121465257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).