6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

C47H29N5 — CID 134508934

IUPAC6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5nc6ccccc6c6nc7ccccc7n56)c4c4ccccc34)c2)cc1
InChIInChI=1S/C47H29N5/c1-3-15-30(16-4-1)32-27-41(31-17-5-2-6-18-31)48-42(28-32)37-29-38-34-20-10-13-25-43(34)51(45(38)35-21-8-7-19-33(35)37)47-50-39-23-11-9-22-36(39)46-49-40-24-12-14-26-44(40)52(46)47/h1-29H
InChIKeyHOAXSSDJRRFNLA-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.68
Rot. Bonds4

About 6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134508934) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134508934
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5nc6ccccc6c6nc7ccccc7n56)c4c4ccccc34)c2)cc1
InChIInChI=1S/C47H29N5/c1-3-15-30(16-4-1)32-27-41(31-17-5-2-6-18-31)48-42(28-32)37-29-38-34-20-10-13-25-43(34)51(45(38)35-21-8-7-19-33(35)37)47-50-39-23-11-9-22-36(39)46-49-40-24-12-14-26-44(40)52(46)47/h1-29H
InChIKeyHOAXSSDJRRFNLA-UHFFFAOYSA-N
XLogP11.68
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508964
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
6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134509221
6-(5-dibenzofuran-3-ylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline
CID 134508953
6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
CID 70807699
6-[3-(4,6-diphenyl-2-pyridinyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 159551143
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70807705
6-[5-(1,10-phenanthrolin-3-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134509014
6-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134508826
6-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline
CID 134509238
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650
6-(2-naphthalen-1-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509148

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (CID 134508934) is 6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c5ccccc5n(-c5nc6ccccc6c6nc7ccccc7n56)c4c4ccccc34)c2)cc1.
What is the InChIKey of 6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is HOAXSSDJRRFNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-3-15-30(16-4-1)32-27-41(31-17-5-2-6-18-31)48-42(28-32)37-29-38-34-20-10-13-25-43(34)51(45(38)35-21-8-7-19-33(35)37)47-50-39-23-11-9-22-36(39)46-49-40-24-12-14-26-44(40)52(46)47/h1-29H.
What are the key properties of 6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 663.78 g/mol, XLogP of 11.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134508934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).