6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline

C42H24N4O — CID 134508829

IUPAC6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)ccc1c2c2cc(-c3cccc4c3oc3ccccc34)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C42H24N4O/c1-2-11-27-25(10-1)20-23-37-39(27)32-24-26(28-14-9-15-30-29-12-4-8-19-38(29)47-40(28)30)21-22-35(32)45(37)42-44-33-16-5-3-13-31(33)41-43-34-17-6-7-18-36(34)46(41)42/h1-24H
InChIKeyNZZZMMZUXBZJJA-UHFFFAOYSA-N
MW600.68 g/mol
LogP10.85
Rot. Bonds2

About 6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline

6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline (PubChem CID 134508829) has the molecular formula C42H24N4O and a molecular weight of 600.68 g/mol. Its IUPAC name is 6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline
PubChem CID134508829
Molecular FormulaC42H24N4O
Molecular Weight600.68 g/mol
Exact Mass600.20
IUPAC Name6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)ccc1c2c2cc(-c3cccc4c3oc3ccccc34)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C42H24N4O/c1-2-11-27-25(10-1)20-23-37-39(27)32-24-26(28-14-9-15-30-29-12-4-8-19-38(29)47-40(28)30)21-22-35(32)45(37)42-44-33-16-5-3-13-31(33)41-43-34-17-6-7-18-36(34)46(41)42/h1-24H
InChIKeyNZZZMMZUXBZJJA-UHFFFAOYSA-N
XLogP10.85
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms47
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline (CID 134508829) is 6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline is c1ccc2c(c1)ccc1c2c2cc(-c3cccc4c3oc3ccccc34)ccc2n1-c1nc2ccccc2c2nc3ccccc3n12.
What is the InChIKey of 6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline?
The InChIKey is NZZZMMZUXBZJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O/c1-2-11-27-25(10-1)20-23-37-39(27)32-24-26(28-14-9-15-30-29-12-4-8-19-38(29)47-40(28)30)21-22-35(32)45(37)42-44-33-16-5-3-13-31(33)41-43-34-17-6-7-18-36(34)46(41)42/h1-24H.
What are the key properties of 6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline?
6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline has a molecular weight of 600.68 g/mol, XLogP of 10.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-dibenzofuran-4-ylbenzo[c]carbazol-7-yl)benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 134508829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).