2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline

C24H17ClN2 — CID 175907583

IUPAC2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline
SMILESNc1ccccc1-c1cc2[nH]c3ccccc3c2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H17ClN2/c25-16-11-9-15(10-12-16)19-13-21-18-6-2-4-8-23(18)27-24(21)14-20(19)17-5-1-3-7-22(17)26/h1-14,27H,26H2
InChIKeyCQRHECPGAQLCEO-UHFFFAOYSA-N
MW368.87 g/mol
LogP6.89
Rot. Bonds2

About 2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline

2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline (PubChem CID 175907583) has the molecular formula C24H17ClN2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline
PubChem CID175907583
Molecular FormulaC24H17ClN2
Molecular Weight368.87 g/mol
Exact Mass368.11
IUPAC Name2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline
SMILESNc1ccccc1-c1cc2[nH]c3ccccc3c2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H17ClN2/c25-16-11-9-15(10-12-16)19-13-21-18-6-2-4-8-23(18)27-24(21)14-20(19)17-5-1-3-7-22(17)26/h1-14,27H,26H2
InChIKeyCQRHECPGAQLCEO-UHFFFAOYSA-N
XLogP6.89
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenyl-9H-carbazol-2-yl)aniline
CID 175440739
3,6-bis(2-aminophenyl)-9H-carbazole-2,7-diamine
CID 58471803
2-(9H-carbazol-2-yl)benzene-1,4-diamine
CID 175102492
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
2-(2,5-diphenylphenyl)-9H-carbazole
CID 177269985
11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5,7,9,13,15,17,19(27),21,23,25-tridecaene
CID 102495063
9H-carbazole;9H-carbazole-3,6-diamine
CID 161182207
9H-carbazole
CID 66668984
17-chloro-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-amine
CID 162670366
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
2-triphenylen-2-yl-9H-carbazole
CID 118922949

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline?
The IUPAC name of 2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline (CID 175907583) is 2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline?
The canonical SMILES for 2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline is Nc1ccccc1-c1cc2[nH]c3ccccc3c2cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline?
The InChIKey is CQRHECPGAQLCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2/c25-16-11-9-15(10-12-16)19-13-21-18-6-2-4-8-23(18)27-24(21)14-20(19)17-5-1-3-7-22(17)26/h1-14,27H,26H2.
What are the key properties of 2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline?
2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline has a molecular weight of 368.87 g/mol, XLogP of 6.89, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-9H-carbazol-2-yl]aniline is sourced from PubChem (CID 175907583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).