3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole

C38H23ClN4 — CID 118492932

IUPAC3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESClc1nc2ccccc2nc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C38H23ClN4/c39-37-38(41-32-15-7-6-14-31(32)40-37)43-34-17-9-5-13-28(34)30-23-25(19-21-36(30)43)24-18-20-35-29(22-24)27-12-4-8-16-33(27)42(35)26-10-2-1-3-11-26/h1-23H
InChIKeyLBIRZJKRTKYVMI-UHFFFAOYSA-N
MW571.08 g/mol
LogP10.14
Rot. Bonds3

About 3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 118492932) has the molecular formula C38H23ClN4 and a molecular weight of 571.08 g/mol. Its IUPAC name is 3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID118492932
Molecular FormulaC38H23ClN4
Molecular Weight571.08 g/mol
Exact Mass570.16
IUPAC Name3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESClc1nc2ccccc2nc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C38H23ClN4/c39-37-38(41-32-15-7-6-14-31(32)40-37)43-34-17-9-5-13-28(34)30-23-25(19-21-36(30)43)24-18-20-35-29(22-24)27-12-4-8-16-33(27)42(35)26-10-2-1-3-11-26/h1-23H
InChIKeyLBIRZJKRTKYVMI-UHFFFAOYSA-N
XLogP10.14
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.08
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 118492934
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-chloropyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632889
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 118492932) is 3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole is Clc1nc2ccccc2nc1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of 3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is LBIRZJKRTKYVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23ClN4/c39-37-38(41-32-15-7-6-14-31(32)40-37)43-34-17-9-5-13-28(34)30-23-25(19-21-36(30)43)24-18-20-35-29(22-24)27-12-4-8-16-33(27)42(35)26-10-2-1-3-11-26/h1-23H.
What are the key properties of 3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 571.08 g/mol, XLogP of 10.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 118492932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).