10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole

C40H24ClN3 — CID 162481159

IUPAC10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole
SMILESClc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc2ccccc2nc1-c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C40H24ClN3/c41-31-20-22-36-33(24-31)38-32-10-4-3-8-27(32)19-21-37(38)44(36)40-39(42-34-11-5-6-12-35(34)43-40)28-16-13-26(14-17-28)30-18-15-25-7-1-2-9-29(25)23-30/h1-24H
InChIKeyQABJJGFOJFJFDC-UHFFFAOYSA-N
MW582.11 g/mol
LogP11.02
Rot. Bonds3

About 10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole

10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole (PubChem CID 162481159) has the molecular formula C40H24ClN3 and a molecular weight of 582.11 g/mol. Its IUPAC name is 10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole
PubChem CID162481159
Molecular FormulaC40H24ClN3
Molecular Weight582.11 g/mol
Exact Mass581.17
IUPAC Name10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole
SMILESClc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc2ccccc2nc1-c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C40H24ClN3/c41-31-20-22-36-33(24-31)38-32-10-4-3-8-27(32)19-21-37(38)44(36)40-39(42-34-11-5-6-12-35(34)43-40)28-16-13-26(14-17-28)30-18-15-25-7-1-2-9-29(25)23-30/h1-24H
InChIKeyQABJJGFOJFJFDC-UHFFFAOYSA-N
XLogP11.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.11
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651
10-carbazol-9-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-carbazol-9-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163468032
2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375178
9-naphthalen-2-yl-12-[3-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-phenyl-12-[3-(3-phenylphenyl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[3-(4-phenylphenyl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-(3-phenylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 161319849
10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole
CID 162481423
5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
CID 146539824
9-naphthalen-1-yl-12-[3-(4-phenylphenyl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149761
10-benzo[a]carbazol-11-yl-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;11H-benzo[a]fluorene;10-chloro-7-(3-phenanthren-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane
CID 163722227
7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole
CID 167038246
7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 118492934
12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118535711
9,12-diphenyl-16-(3-phenylquinoxalin-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;12-phenyl-16-[3-(4-phenylphenyl)quinoxalin-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;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 163789996

Frequently Asked Questions

What is the IUPAC name of 10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole?
The IUPAC name of 10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole (CID 162481159) is 10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole?
The canonical SMILES for 10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole is Clc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc2ccccc2nc1-c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole?
The InChIKey is QABJJGFOJFJFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24ClN3/c41-31-20-22-36-33(24-31)38-32-10-4-3-8-27(32)19-21-37(38)44(36)40-39(42-34-11-5-6-12-35(34)43-40)28-16-13-26(14-17-28)30-18-15-25-7-1-2-9-29(25)23-30/h1-24H.
What are the key properties of 10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole?
10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole has a molecular weight of 582.11 g/mol, XLogP of 11.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-7-[3-(4-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 162481159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).