7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole

C42H25ClN4 — CID 118492934

IUPAC7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
SMILESClc1nc2ccccc2nc1-n1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2c2c3ccccc3ccc21
InChIInChI=1S/C42H25ClN4/c43-41-42(45-35-16-8-7-15-34(35)44-41)47-38-22-20-28(25-33(38)40-30-13-5-4-10-26(30)18-23-39(40)47)27-19-21-37-32(24-27)31-14-6-9-17-36(31)46(37)29-11-2-1-3-12-29/h1-25H
InChIKeyBTYZXLNZIOFFCN-UHFFFAOYSA-N
MW621.14 g/mol
LogP11.30
Rot. Bonds3

About 7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole

7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole (PubChem CID 118492934) has the molecular formula C42H25ClN4 and a molecular weight of 621.14 g/mol. Its IUPAC name is 7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
PubChem CID118492934
Molecular FormulaC42H25ClN4
Molecular Weight621.14 g/mol
Exact Mass620.18
IUPAC Name7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
SMILESClc1nc2ccccc2nc1-n1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2c2c3ccccc3ccc21
InChIInChI=1S/C42H25ClN4/c43-41-42(45-35-16-8-7-15-34(35)44-41)47-38-22-20-28(25-33(38)40-30-13-5-4-10-26(30)18-23-39(40)47)27-19-21-37-32(24-27)31-14-6-9-17-36(31)46(37)29-11-2-1-3-12-29/h1-25H
InChIKeyBTYZXLNZIOFFCN-UHFFFAOYSA-N
XLogP11.30
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.14
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118492932
3-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 121263635
2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 121255091
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134222275
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
11-phenyl-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159128944
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 159191973
7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 147850713
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?
The IUPAC name of 7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole (CID 118492934) is 7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?
The canonical SMILES for 7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole is Clc1nc2ccccc2nc1-n1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2c2c3ccccc3ccc21.
What is the InChIKey of 7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?
The InChIKey is BTYZXLNZIOFFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25ClN4/c43-41-42(45-35-16-8-7-15-34(35)44-41)47-38-22-20-28(25-33(38)40-30-13-5-4-10-26(30)18-23-39(40)47)27-19-21-37-32(24-27)31-14-6-9-17-36(31)46(37)29-11-2-1-3-12-29/h1-25H.
What are the key properties of 7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?
7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole has a molecular weight of 621.14 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole is sourced from PubChem (CID 118492934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).