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

C46H28N4 — CID 134508964

IUPAC6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2cc(-c3ccc(-c4cc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C46H28N4/c1-2-12-32-27-33(26-23-29(32)11-1)30-21-24-31(25-22-30)38-28-39-35-14-6-9-19-42(35)49(44(39)36-15-4-3-13-34(36)38)46-48-40-17-7-5-16-37(40)45-47-41-18-8-10-20-43(41)50(45)46/h1-28H
InChIKeyGHMZBCXMHCVAMH-UHFFFAOYSA-N
MW636.76 g/mol
LogP11.77
Rot. Bonds3

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

6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134508964) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID134508964
Molecular FormulaC46H28N4
Molecular Weight636.76 g/mol
Exact Mass636.23
IUPAC Name6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2cc(-c3ccc(-c4cc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C46H28N4/c1-2-12-32-27-33(26-23-29(32)11-1)30-21-24-31(25-22-30)38-28-39-35-14-6-9-19-42(35)49(44(39)36-15-4-3-13-34(36)38)46-48-40-17-7-5-16-37(40)45-47-41-18-8-10-20-43(41)50(45)46/h1-28H
InChIKeyGHMZBCXMHCVAMH-UHFFFAOYSA-N
XLogP11.77
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.76
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-naphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134508704
6-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134509221
6-(2,7-dinaphthalen-2-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509045
6-[5-(1,10-phenanthrolin-3-yl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134509014
6-[5-(4,6-diphenyl-2-pyridinyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline
CID 134508934
6-(5-dibenzofuran-3-ylbenzo[a]carbazol-11-yl)benzimidazolo[1,2-c]quinazoline
CID 134508953
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-[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-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509081
6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508649
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650
6-[10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134508875

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline (CID 134508964) is 6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is c1ccc2cc(-c3ccc(-c4cc5c6ccccc6n(-c6nc7ccccc7c7nc8ccccc8n67)c5c5ccccc45)cc3)ccc2c1.
What is the InChIKey of 6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is GHMZBCXMHCVAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-2-12-32-27-33(26-23-29(32)11-1)30-21-24-31(25-22-30)38-28-39-35-14-6-9-19-42(35)49(44(39)36-15-4-3-13-34(36)38)46-48-40-17-7-5-16-37(40)45-47-41-18-8-10-20-43(41)50(45)46/h1-28H.
What are the key properties of 6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline?
6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 636.76 g/mol, XLogP of 11.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-naphthalen-2-ylphenyl)benzo[a]carbazol-11-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134508964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).