6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline

C32H20N4 — CID 166050907

IUPAC6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline
SMILESc1ccc(-c2cccc3c2nc(-n2c4ccccc4c4ccccc42)c2nc4ccccc4n23)cc1
InChIInChI=1S/C32H20N4/c1-2-11-21(12-3-1)22-15-10-20-29-30(22)34-32(31-33-25-16-6-9-19-28(25)36(29)31)35-26-17-7-4-13-23(26)24-14-5-8-18-27(24)35/h1-20H
InChIKeyQOKKEBCRPFKXTB-UHFFFAOYSA-N
MW460.54 g/mol
LogP7.80
Rot. Bonds2

About 6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline

6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline (PubChem CID 166050907) has the molecular formula C32H20N4 and a molecular weight of 460.54 g/mol. Its IUPAC name is 6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline
PubChem CID166050907
Molecular FormulaC32H20N4
Molecular Weight460.54 g/mol
Exact Mass460.17
IUPAC Name6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline
SMILESc1ccc(-c2cccc3c2nc(-n2c4ccccc4c4ccccc42)c2nc4ccccc4n23)cc1
InChIInChI=1S/C32H20N4/c1-2-11-21(12-3-1)22-15-10-20-29-30(22)34-32(31-33-25-16-6-9-19-28(25)36(29)31)35-26-17-7-4-13-23(26)24-14-5-8-18-27(24)35/h1-20H
InChIKeyQOKKEBCRPFKXTB-UHFFFAOYSA-N
XLogP7.80
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

13-phenyl-3,10,23,30-tetrazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
CID 138474670
6-(2-naphthalen-1-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509148
27-(6-phenyl-2-pyridinyl)-3,10,27-triazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),21,23,25-tridecaene
CID 90432087
2,9,17-triazaheptacyclo[15.10.1.02,10.03,8.011,16.018,23.024,28]octacosa-1(27),3,5,7,9,11,13,15,18,20,22,24(28),25-tridecaene
CID 164734138
7,17-diphenyl-7,17,22,29-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30,32,34-hexadecaene
CID 140956548
4-dibenzofuran-1-yl-5-phenyl-3,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 163388308
19-(3-phenylphenyl)-2,9,19-triazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene
CID 90432789
1-phenyl-9-[4-(4-quinoxalin-2-ylphenyl)phenyl]carbazole
CID 172765274
6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508919
5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one
CID 146639211
4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 149202227
25-phenyl-3,10,17-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,19,21,23-undecaen-18-one
CID 165126070

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline?
The IUPAC name of 6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline (CID 166050907) is 6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline.
What is the SMILES notation for 6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline?
The canonical SMILES for 6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline is c1ccc(-c2cccc3c2nc(-n2c4ccccc4c4ccccc42)c2nc4ccccc4n23)cc1.
What is the InChIKey of 6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline?
The InChIKey is QOKKEBCRPFKXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N4/c1-2-11-21(12-3-1)22-15-10-20-29-30(22)34-32(31-33-25-16-6-9-19-28(25)36(29)31)35-26-17-7-4-13-23(26)24-14-5-8-18-27(24)35/h1-20H.
What are the key properties of 6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline?
6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline has a molecular weight of 460.54 g/mol, XLogP of 7.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-4-phenylbenzimidazolo[1,2-a]quinoxaline is sourced from PubChem (CID 166050907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).