3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C30H21ClN2 — CID 177084601

IUPAC3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESClc1cc2c3ccccc3n(-c3ccccc3)c2cc1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H21ClN2/c31-27-19-26-25-13-7-8-14-29(25)33(24-11-5-2-6-12-24)30(26)20-28(27)32-23-17-15-22(16-18-23)21-9-3-1-4-10-21/h1-20,32H
InChIKeyPCZGPDBDCLRGFI-UHFFFAOYSA-N
MW444.97 g/mol
LogP8.85
Rot. Bonds4

About 3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 177084601) has the molecular formula C30H21ClN2 and a molecular weight of 444.97 g/mol. Its IUPAC name is 3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID177084601
Molecular FormulaC30H21ClN2
Molecular Weight444.97 g/mol
Exact Mass444.14
IUPAC Name3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESClc1cc2c3ccccc3n(-c3ccccc3)c2cc1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H21ClN2/c31-27-19-26-25-13-7-8-14-29(25)33(24-11-5-2-6-12-24)30(26)20-28(27)32-23-17-15-22(16-18-23)21-9-3-1-4-10-21/h1-20,32H
InChIKeyPCZGPDBDCLRGFI-UHFFFAOYSA-N
XLogP8.85
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.97
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 142745530
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
7-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[c]carbazol-5-amine
CID 145362394
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 159366258
5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 163631547
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 134380568
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
9-(4-methylphenyl)-N,3-diphenylcarbazol-2-amine
CID 129125677
N-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035

Frequently Asked Questions

What is the IUPAC name of 3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of 3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 177084601) is 3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is Clc1cc2c3ccccc3n(-c3ccccc3)c2cc1Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is PCZGPDBDCLRGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21ClN2/c31-27-19-26-25-13-7-8-14-29(25)33(24-11-5-2-6-12-24)30(26)20-28(27)32-23-17-15-22(16-18-23)21-9-3-1-4-10-21/h1-20,32H.
What are the key properties of 3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 444.97 g/mol, XLogP of 8.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 177084601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).