3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole

C38H25ClN4 — CID 145055841

IUPAC3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESClC1Nc2ccccc2N=C1n1c2ccccc2c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C38H25ClN4/c39-37-38(41-32-15-7-6-14-31(32)40-37)43-34-17-9-4-12-27(34)29-20-18-25(23-36(29)43)24-19-21-35-30(22-24)28-13-5-8-16-33(28)42(35)26-10-2-1-3-11-26/h1-23,37,40H
InChIKeyPKVROPWQJSMAEC-UHFFFAOYSA-N
MW573.10 g/mol
LogP10.13
Rot. Bonds2

About 3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole

3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 145055841) has the molecular formula C38H25ClN4 and a molecular weight of 573.10 g/mol. Its IUPAC name is 3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
PubChem CID145055841
Molecular FormulaC38H25ClN4
Molecular Weight573.10 g/mol
Exact Mass572.18
IUPAC Name3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESClC1Nc2ccccc2N=C1n1c2ccccc2c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C38H25ClN4/c39-37-38(41-32-15-7-6-14-31(32)40-37)43-34-17-9-4-12-27(34)29-20-18-25(23-36(29)43)24-19-21-35-30(22-24)28-13-5-8-16-33(28)42(35)26-10-2-1-3-11-26/h1-23,37,40H
InChIKeyPKVROPWQJSMAEC-UHFFFAOYSA-N
XLogP10.13
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.10
LogP ≤ 510.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
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
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 152827310
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
CID 140795127
CID 140795127
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole (CID 145055841) is 3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole is ClC1Nc2ccccc2N=C1n1c2ccccc2c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of 3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is PKVROPWQJSMAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25ClN4/c39-37-38(41-32-15-7-6-14-31(32)40-37)43-34-17-9-4-12-27(34)29-20-18-25(23-36(29)43)24-19-21-35-30(22-24)28-13-5-8-16-33(28)42(35)26-10-2-1-3-11-26/h1-23,37,40H.
What are the key properties of 3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole?
3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 573.10 g/mol, XLogP of 10.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-chloro-3,4-dihydroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 145055841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).