2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline

C42H30N2 — CID 118907856

IUPAC2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H30N2/c1-4-12-30(13-5-1)31-20-24-35(25-21-31)43-40-27-23-33(28-39(40)32-14-6-2-7-15-32)34-22-26-38-37-18-10-11-19-41(37)44(42(38)29-34)36-16-8-3-9-17-36/h1-29,43H
InChIKeyYINVXCWSIJVDJE-UHFFFAOYSA-N
MW562.72 g/mol
LogP11.53
Rot. Bonds6

About 2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline

2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline (PubChem CID 118907856) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
PubChem CID118907856
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H30N2/c1-4-12-30(13-5-1)31-20-24-35(25-21-31)43-40-27-23-33(28-39(40)32-14-6-2-7-15-32)34-22-26-38-37-18-10-11-19-41(37)44(42(38)29-34)36-16-8-3-9-17-36/h1-29,43H
InChIKeyYINVXCWSIJVDJE-UHFFFAOYSA-N
XLogP11.53
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 163918921
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
N-(3,5-diphenylphenyl)-2-phenyl-5-(9-phenylcarbazol-2-yl)aniline;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(3-phenylphenyl)carbazol-2-yl]aniline;N-(3,5-diphenylphenyl)-2-phenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 163765260
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 142745530
4-carbazol-9-yl-N,2-diphenylaniline
CID 121360313
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
4-dibenzothiophen-2-yl-N-[2-phenyl-4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine
CID 118534100
3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 177084601
N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 126700453
9-(4-methylphenyl)-N,3-diphenylcarbazol-2-amine
CID 129125677
N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 134380568
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline (CID 118907856) is 2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(Nc3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is YINVXCWSIJVDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-4-12-30(13-5-1)31-20-24-35(25-21-31)43-40-27-23-33(28-39(40)32-14-6-2-7-15-32)34-22-26-38-37-18-10-11-19-41(37)44(42(38)29-34)36-16-8-3-9-17-36/h1-29,43H.
What are the key properties of 2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline?
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 562.72 g/mol, XLogP of 11.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118907856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).