6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

C44H26N4O — CID 134509137

About 6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 134509137) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

• Compound Name: 6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
• PubChem CID: 134509137
• Molecular Formula: C44H26N4O
• Molecular Weight: 626.72 g/mol
• Exact Mass: 626.21
• IUPAC Name: 6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
• SMILES: c1ccc2c(c1)nc(-n1c3ccccc3c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc31)n1c3ccccc3nc21
• InChI: InChI=1S/C44H26N4O/c1-4-12-36-35(11-1)43-45-37-13-5-7-15-39(37)48(43)44(46-36)47-38-14-6-2-9-31(38)32-23-21-29(25-40(32)47)27-17-19-28(20-18-27)30-22-24-34-33-10-3-8-16-41(33)49-42(34)26-30/h1-26H
• InChIKey: DTBAPWCKMPUXMV-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 48.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.72
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?

The IUPAC name of 6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (CID 134509137) is 6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

What is the SMILES notation for 6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?

The canonical SMILES for 6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is c1ccc2c(c1)nc(-n1c3ccccc3c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc31)n1c3ccccc3nc21.

What is the InChIKey of 6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?

The InChIKey is DTBAPWCKMPUXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c1-4-12-36-35(11-1)43-45-37-13-5-7-15-39(37)48(43)44(46-36)47-38-14-6-2-9-31(38)32-23-21-29(25-40(32)47)27-17-19-28(20-18-27)30-22-24-34-33-10-3-8-16-41(33)49-42(34)26-30/h1-26H.

What are the key properties of 6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?

6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 626.72 g/mol, XLogP of 11.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(4-dibenzofuran-3-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134509137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).