9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole

C43H27N3 — CID 134365245

IUPAC9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole
SMILESc1ccc(-c2nc3ccc4ccc5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5c4c3n2-c2ccccc2)cc1
InChIInChI=1S/C43H27N3/c1-3-12-30(13-4-1)43-44-37-25-21-29-19-20-31-27-33(23-24-35(31)40(29)42(37)46(43)32-14-5-2-6-15-32)45-38-18-10-9-17-36(38)41-34-16-8-7-11-28(34)22-26-39(41)45/h1-27H
InChIKeySCVJACNYNBRYGQ-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.25
Rot. Bonds3

About 9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole

9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole (PubChem CID 134365245) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole.

Molecular Properties

Compound Name9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole
PubChem CID134365245
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole
SMILESc1ccc(-c2nc3ccc4ccc5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5c4c3n2-c2ccccc2)cc1
InChIInChI=1S/C43H27N3/c1-3-12-30(13-4-1)43-44-37-25-21-29-19-20-31-27-33(23-24-35(31)40(29)42(37)46(43)32-14-5-2-6-15-32)45-38-18-10-9-17-36(38)41-34-16-8-7-11-28(34)22-26-39(41)45/h1-27H
InChIKeySCVJACNYNBRYGQ-UHFFFAOYSA-N
XLogP11.25
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

16-(1,2-diphenylnaphtho[1,2-e]benzimidazol-9-yl)-12-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 134365350
10-(3-benzo[c]carbazol-7-ylphenyl)-1,2-diphenylnaphtho[1,2-e]benzimidazole
CID 138746461
16-(1,2-diphenylnaphtho[1,2-e]benzimidazol-10-yl)-12-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 134365246
4,5,14-triphenyl-4,6,14-triazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 164589111
2-benzo[c]carbazol-7-yl-5-phenylindolo[2,3-b]quinoline
CID 146328919
5,6-diphenyl-20-triphenylen-2-yl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaene
CID 164589128
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole
CID 129095673
15-(2,3-diphenylquinoxalin-6-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 154952670
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole;7-phenyl-3-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole
CID 159885247
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylnaphtho[1,2-e]benzimidazole
CID 138746453
9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole
CID 163417517

Frequently Asked Questions

What is the IUPAC name of 9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole?
The IUPAC name of 9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole (CID 134365245) is 9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole.
What is the SMILES notation for 9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole?
The canonical SMILES for 9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole is c1ccc(-c2nc3ccc4ccc5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5c4c3n2-c2ccccc2)cc1.
What is the InChIKey of 9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole?
The InChIKey is SCVJACNYNBRYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-3-12-30(13-4-1)43-44-37-25-21-29-19-20-31-27-33(23-24-35(31)40(29)42(37)46(43)32-14-5-2-6-15-32)45-38-18-10-9-17-36(38)41-34-16-8-7-11-28(34)22-26-39(41)45/h1-27H.
What are the key properties of 9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole?
9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole has a molecular weight of 585.71 g/mol, XLogP of 11.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole is sourced from PubChem (CID 134365245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).