6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

C49H29N7 — CID 134508919

IUPAC6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cc4c5ccccc5n(-c5nc6ccccc6c6nc7ccccc7n56)c4c4ccccc34)n2)cc1
InChIInChI=1S/C49H29N7/c1-2-16-31(17-3-1)45-52-46(36-24-14-18-30-15-4-5-19-32(30)36)54-47(53-45)39-29-38-34-21-9-12-27-42(34)55(44(38)35-22-7-6-20-33(35)39)49-51-40-25-10-8-23-37(40)48-50-41-26-11-13-28-43(41)56(48)49/h1-29H
InChIKeyVXSKZRXYRMEUSK-UHFFFAOYSA-N
MW715.82 g/mol
LogP11.63
Rot. Bonds4

About 6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline

6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134508919) has the molecular formula C49H29N7 and a molecular weight of 715.82 g/mol. Its IUPAC name is 6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134508919
Molecular FormulaC49H29N7
Molecular Weight715.82 g/mol
Exact Mass715.25
IUPAC Name6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cc4c5ccccc5n(-c5nc6ccccc6c6nc7ccccc7n56)c4c4ccccc34)n2)cc1
InChIInChI=1S/C49H29N7/c1-2-16-31(17-3-1)45-52-46(36-24-14-18-30-15-4-5-19-32(30)36)54-47(53-45)39-29-38-34-21-9-12-27-42(34)55(44(38)35-22-7-6-20-33(35)39)49-51-40-25-10-8-23-37(40)48-50-41-26-11-13-28-43(41)56(48)49/h1-29H
InChIKeyVXSKZRXYRMEUSK-UHFFFAOYSA-N
XLogP11.63
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.82
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 159030344
6-(2-naphthalen-1-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509148
6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508934
6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508964
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-[5-(1,10-phenanthrolin-3-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134509014
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-(5-diphenylphosphorylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline
CID 134509238
6-[2-[3-(9-phenylcarbazol-2-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509097
9-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166889355
6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509045

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 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) is 6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cc4c5ccccc5n(-c5nc6ccccc6c6nc7ccccc7n56)c4c4ccccc34)n2)cc1.
What is the InChIKey of 6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is VXSKZRXYRMEUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N7/c1-2-16-31(17-3-1)45-52-46(36-24-14-18-30-15-4-5-19-32(30)36)54-47(53-45)39-29-38-34-21-9-12-27-42(34)55(44(38)35-22-7-6-20-33(35)39)49-51-40-25-10-8-23-37(40)48-50-41-26-11-13-28-43(41)56(48)49/h1-29H.
What are the key properties of 6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 715.82 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134508919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).