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

C48H34N2 — CID 118265851

IUPAC2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc3c4ccc(-c5ccc(-c6ccccc6N(c6ccccc6)c6ccccc6)cc5)cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H34N2/c1-5-15-35(16-6-1)38-29-31-44-45-32-30-39(34-48(45)50(47(44)33-38)42-21-11-4-12-22-42)36-25-27-37(28-26-36)43-23-13-14-24-46(43)49(40-17-7-2-8-18-40)41-19-9-3-10-20-41/h1-34H
InChIKeyYWIAGCPLKKAXCM-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.25
Rot. Bonds7

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

2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline (PubChem CID 118265851) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
PubChem CID118265851
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc3c4ccc(-c5ccc(-c6ccccc6N(c6ccccc6)c6ccccc6)cc5)cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H34N2/c1-5-15-35(16-6-1)38-29-31-44-45-32-30-39(34-48(45)50(47(44)33-38)42-21-11-4-12-22-42)36-25-27-37(28-26-36)43-23-13-14-24-46(43)49(40-17-7-2-8-18-40)41-19-9-3-10-20-41/h1-34H
InChIKeyYWIAGCPLKKAXCM-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

2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337160
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501726
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
N,N-bis(4-phenylphenyl)-2-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118337780
2-[9-(2,5-diphenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118349607
2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289340
2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline (CID 118265851) is 2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline is c1ccc(-c2ccc3c4ccc(-c5ccc(-c6ccccc6N(c6ccccc6)c6ccccc6)cc5)cc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is YWIAGCPLKKAXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-5-15-35(16-6-1)38-29-31-44-45-32-30-39(34-48(45)50(47(44)33-38)42-21-11-4-12-22-42)36-25-27-37(28-26-36)43-23-13-14-24-46(43)49(40-17-7-2-8-18-40)41-19-9-3-10-20-41/h1-34H.
What are the key properties of 2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
2-[4-(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 2-[4-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 118265851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).