4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline

C48H34N2 — CID 118337160

IUPAC4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc3c4ccc(-c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H34N2/c1-5-15-35(16-6-1)37-27-31-45-46-32-28-38(34-48(46)50(47(45)33-37)41-21-11-4-12-22-41)44-24-14-13-23-43(44)36-25-29-42(30-26-36)49(39-17-7-2-8-18-39)40-19-9-3-10-20-40/h1-34H
InChIKeyWUQRBPGVDRPULW-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.25
Rot. Bonds7

About 4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline

4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline (PubChem CID 118337160) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
PubChem CID118337160
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc3c4ccc(-c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H34N2/c1-5-15-35(16-6-1)37-27-31-45-46-32-28-38(34-48(46)50(47(45)33-37)41-21-11-4-12-22-41)44-24-14-13-23-43(44)36-25-29-42(30-26-36)49(39-17-7-2-8-18-39)40-19-9-3-10-20-40/h1-34H
InChIKeyWUQRBPGVDRPULW-UHFFFAOYSA-N
XLogP13.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175
4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
CID 169010334
2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118265851
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605
N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037754
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130452731
N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337481
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
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
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline (CID 118337160) is 4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline is c1ccc(-c2ccc3c4ccc(-c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is WUQRBPGVDRPULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-5-15-35(16-6-1)37-27-31-45-46-32-28-38(34-48(46)50(47(45)33-37)41-21-11-4-12-22-41)44-24-14-13-23-43(44)36-25-29-42(30-26-36)49(39-17-7-2-8-18-39)40-19-9-3-10-20-40/h1-34H.
What are the key properties of 4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline has a molecular weight of 638.81 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 118337160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).