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

C38H23ClN4 — CID 121255091

IUPAC2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESClc1nc2ccccc2nc1-n1c2ccccc2c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C38H23ClN4/c39-37-38(41-32-15-7-6-14-31(32)40-37)43-34-17-9-5-13-28(34)30-21-19-25(23-36(30)43)24-18-20-29-27-12-4-8-16-33(27)42(35(29)22-24)26-10-2-1-3-11-26/h1-23H
InChIKeyGNJXXPLNGTXWCV-UHFFFAOYSA-N
MW571.08 g/mol
LogP10.14
Rot. Bonds3

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

2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 121255091) has the molecular formula C38H23ClN4 and a molecular weight of 571.08 g/mol. Its IUPAC name is 2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
PubChem CID121255091
Molecular FormulaC38H23ClN4
Molecular Weight571.08 g/mol
Exact Mass570.16
IUPAC Name2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESClc1nc2ccccc2nc1-n1c2ccccc2c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C38H23ClN4/c39-37-38(41-32-15-7-6-14-31(32)40-37)43-34-17-9-5-13-28(34)30-21-19-25(23-36(30)43)24-18-20-29-27-12-4-8-16-33(27)42(35(29)22-24)26-10-2-1-3-11-26/h1-23H
InChIKeyGNJXXPLNGTXWCV-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
3-[9-(3-chloroquinoxalin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118492932
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
27-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-27-azaoctacyclo[17.7.1.04,25.07,24.010,23.013,22.016,21.020,26]heptacosa-1(26),2,4(25),5,7(24),8,10(23),11,13(22),14,16(21),17,19-tridecaene
CID 162770212
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
2-(2-chloro-4-phenylquinazolin-6-yl)-9-phenylcarbazole
CID 139327758
26-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570657
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
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole (CID 121255091) is 2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole is Clc1nc2ccccc2nc1-n1c2ccccc2c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.
What is the InChIKey of 2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is GNJXXPLNGTXWCV-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)30-21-19-25(23-36(30)43)24-18-20-29-27-12-4-8-16-33(27)42(35(29)22-24)26-10-2-1-3-11-26/h1-23H.
What are the key properties of 2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole?
2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-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 2-[9-(3-chloroquinoxalin-2-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 121255091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).