N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline

C56H42N2 — CID 144830813

IUPACN-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline
SMILESCc1cccc(-c2ccc3c4ccccc4n(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)c3c2)c1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C56H42N2/c1-40-16-15-26-51(56(40)50-24-12-11-21-44(50)38-41-17-5-2-6-18-41)45-30-37-53-52-25-13-14-27-54(52)58(55(53)39-45)49-35-33-48(34-36-49)57(46-22-9-4-10-23-46)47-31-28-43(29-32-47)42-19-7-3-8-20-42/h2-37,39H,38H2,1H3
InChIKeyXPYMRHSPLCTMQD-UHFFFAOYSA-N
MW742.97 g/mol
LogP15.15
Rot. Bonds9

About N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline

N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline (PubChem CID 144830813) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline
PubChem CID144830813
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC NameN-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline
SMILESCc1cccc(-c2ccc3c4ccccc4n(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)c3c2)c1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C56H42N2/c1-40-16-15-26-51(56(40)50-24-12-11-21-44(50)38-41-17-5-2-6-18-41)45-30-37-53-52-25-13-14-27-54(52)58(55(53)39-45)49-35-33-48(34-36-49)57(46-22-9-4-10-23-46)47-31-28-43(29-32-47)42-19-7-3-8-20-42/h2-37,39H,38H2,1H3
InChIKeyXPYMRHSPLCTMQD-UHFFFAOYSA-N
XLogP15.15
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(10-benzylphenanthren-4-yl)carbazol-9-yl]phenyl]-N,N-diphenylaniline
CID 144831006
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 71038437
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine
CID 144831047
9-[4-[6-(4-carbazol-9-ylphenyl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]aniline;3-methyl-4-[10-[2-methyl-4-(N-phenylanilino)phenyl]-2,6-dinaphthalen-1-ylanthracen-9-yl]-N,N-diphenylaniline
CID 157342291
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118901515
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline (CID 144830813) is N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline is Cc1cccc(-c2ccc3c4ccccc4n(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)c3c2)c1-c1ccccc1Cc1ccccc1.
What is the InChIKey of N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is XPYMRHSPLCTMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c1-40-16-15-26-51(56(40)50-24-12-11-21-44(50)38-41-17-5-2-6-18-41)45-30-37-53-52-25-13-14-27-54(52)58(55(53)39-45)49-35-33-48(34-36-49)57(46-22-9-4-10-23-46)47-31-28-43(29-32-47)42-19-7-3-8-20-42/h2-37,39H,38H2,1H3.
What are the key properties of N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline?
N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 742.97 g/mol, XLogP of 15.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 144830813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).