2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline

C36H26N2 — CID 121360373

IUPAC2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccccc2Nc2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C36H26N2/c1-3-12-26(13-4-1)31-18-7-9-20-34(31)37-29-15-11-14-27(24-29)28-22-23-36-33(25-28)32-19-8-10-21-35(32)38(36)30-16-5-2-6-17-30/h1-25,37H
InChIKeyCVBBAWKNHFWADJ-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.86
Rot. Bonds5

About 2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline

2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 121360373) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID121360373
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccccc2Nc2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C36H26N2/c1-3-12-26(13-4-1)31-18-7-9-20-34(31)37-29-15-11-14-27(24-29)28-22-23-36-33(25-28)32-19-8-10-21-35(32)38(36)30-16-5-2-6-17-30/h1-25,37H
InChIKeyCVBBAWKNHFWADJ-UHFFFAOYSA-N
XLogP9.86
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-carbazol-9-ylphenyl)-2-phenylaniline
CID 70950994
N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 118907859
2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;3-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-naphthalen-2-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 158992655
N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 59827989
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
9-[2-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169288929
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 161099965
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of 2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 121360373) is 2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for 2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for 2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline is c1ccc(-c2ccccc2Nc2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is CVBBAWKNHFWADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-3-12-26(13-4-1)31-18-7-9-20-34(31)37-29-15-11-14-27(24-29)28-22-23-36-33(25-28)32-19-8-10-21-35(32)38(36)30-16-5-2-6-17-30/h1-25,37H.
What are the key properties of 2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 486.62 g/mol, XLogP of 9.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 121360373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).