2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline

C48H34N2 — CID 121329642

IUPAC2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C48H34N2/c1-3-13-35(14-4-1)37-23-29-40(30-24-37)49(41-31-25-38(26-32-41)36-15-5-2-6-16-36)46-20-10-7-17-43(46)39-27-33-42(34-28-39)50-47-21-11-8-18-44(47)45-19-9-12-22-48(45)50/h1-34H
InChIKeyPAYSSFCXNSBWPN-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.25
Rot. Bonds7

About 2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline

2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 121329642) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID121329642
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C48H34N2/c1-3-13-35(14-4-1)37-23-29-40(30-24-37)49(41-31-25-38(26-32-41)36-15-5-2-6-16-36)46-20-10-7-17-43(46)39-27-33-42(34-28-39)50-47-21-11-8-18-44(47)45-19-9-12-22-48(45)50/h1-34H
InChIKeyPAYSSFCXNSBWPN-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

N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502154
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
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-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
2-[4-(4-carbazol-9-ylphenyl)phenyl]-N,N-bis[2-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]aniline
CID 58251538
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
N-(4-benzo[c]carbazol-7-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167038136
9-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 155138424
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 121381212
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
CID 167196113
N-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline (CID 121329642) is 2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is PAYSSFCXNSBWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-3-13-35(14-4-1)37-23-29-40(30-24-37)49(41-31-25-38(26-32-41)36-15-5-2-6-16-36)46-20-10-7-17-43(46)39-27-33-42(34-28-39)50-47-21-11-8-18-44(47)45-19-9-12-22-48(45)50/h1-34H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline?
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline 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-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 121329642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).