N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline

C47H34N2 — CID 126631207

IUPACN-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
SMILESCn1c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2c2cc3ccccc3cc21
InChIInChI=1S/C47H34N2/c1-48-46-29-24-40(31-44(46)45-30-38-12-8-9-13-39(38)32-47(45)48)37-18-16-34(17-19-37)36-22-27-43(28-23-36)49(41-14-6-3-7-15-41)42-25-20-35(21-26-42)33-10-4-2-5-11-33/h2-32H,1H3
InChIKeyZJGXGFJFMBJZKU-UHFFFAOYSA-N
MW626.80 g/mol
LogP12.96
Rot. Bonds6

About N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline

N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline (PubChem CID 126631207) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
PubChem CID126631207
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC NameN-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
SMILESCn1c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2c2cc3ccccc3cc21
InChIInChI=1S/C47H34N2/c1-48-46-29-24-40(31-44(46)45-30-38-12-8-9-13-39(38)32-47(45)48)37-18-16-34(17-19-37)36-22-27-43(28-23-36)49(41-14-6-3-7-15-41)42-25-20-35(21-26-42)33-10-4-2-5-11-33/h2-32H,1H3
InChIKeyZJGXGFJFMBJZKU-UHFFFAOYSA-N
XLogP12.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-(7-methylbenzo[g]carbazol-9-yl)-N,N-diphenylaniline
CID 126631165
N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 126631425
6-(3-benzylphenyl)-9-methyl-N,N-diphenylcarbazol-2-amine
CID 121465257
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748
N-(4-carbazol-9-ylphenyl)-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 59501739
6-(7-carbazol-9-yl-9-methylcarbazol-3-yl)-9-methyl-N,N-diphenylcarbazol-2-amine
CID 147602808
9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
N-[4-[4-(9-methylcarbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline;N-methyl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-3-amine;N-methyl-N-phenyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-3-yl]aniline;N-methyl-N-phenyl-7-(4-phenylphenyl)benzo[g]carbazol-9-amine;N-methyl-N-phenyl-4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]aniline;N-methyl-N-phenyl-4-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]aniline
CID 158706804
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 126632601

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline (CID 126631207) is N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline is Cn1c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2c2cc3ccccc3cc21.
What is the InChIKey of N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline?
The InChIKey is ZJGXGFJFMBJZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-48-46-29-24-40(31-44(46)45-30-38-12-8-9-13-39(38)32-47(45)48)37-18-16-34(17-19-37)36-22-27-43(28-23-36)49(41-14-6-3-7-15-41)42-25-20-35(21-26-42)33-10-4-2-5-11-33/h2-32H,1H3.
What are the key properties of N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline?
N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline has a molecular weight of 626.80 g/mol, XLogP of 12.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 126631207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).