2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole

C31H19N3O — CID 66636085

IUPAC2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole
SMILESc1ccc2c(c1)ncn2-c1ccc2oc3cccc(-c4ccc5c(c4)[nH]c4ccccc45)c3c2c1
InChIInChI=1S/C31H19N3O/c1-2-8-25-22(6-1)23-14-12-19(16-27(23)33-25)21-7-5-11-30-31(21)24-17-20(13-15-29(24)35-30)34-18-32-26-9-3-4-10-28(26)34/h1-18,33H
InChIKeySJSJKCILDFXNIA-UHFFFAOYSA-N
MW449.51 g/mol
LogP8.23
Rot. Bonds2

About 2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole

2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole (PubChem CID 66636085) has the molecular formula C31H19N3O and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole.

Molecular Properties

Compound Name2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole
PubChem CID66636085
Molecular FormulaC31H19N3O
Molecular Weight449.51 g/mol
Exact Mass449.15
IUPAC Name2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole
SMILESc1ccc2c(c1)ncn2-c1ccc2oc3cccc(-c4ccc5c(c4)[nH]c4ccccc45)c3c2c1
InChIInChI=1S/C31H19N3O/c1-2-8-25-22(6-1)23-14-12-19(16-27(23)33-25)21-7-5-11-30-31(21)24-17-20(13-15-29(24)35-30)34-18-32-26-9-3-4-10-28(26)34/h1-18,33H
InChIKeySJSJKCILDFXNIA-UHFFFAOYSA-N
XLogP8.23
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole?
The IUPAC name of 2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole (CID 66636085) is 2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole.
What is the SMILES notation for 2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole?
The canonical SMILES for 2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole is c1ccc2c(c1)ncn2-c1ccc2oc3cccc(-c4ccc5c(c4)[nH]c4ccccc45)c3c2c1.
What is the InChIKey of 2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole?
The InChIKey is SJSJKCILDFXNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3O/c1-2-8-25-22(6-1)23-14-12-19(16-27(23)33-25)21-7-5-11-30-31(21)24-17-20(13-15-29(24)35-30)34-18-32-26-9-3-4-10-28(26)34/h1-18,33H.
What are the key properties of 2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole?
2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole has a molecular weight of 449.51 g/mol, XLogP of 8.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(benzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole is sourced from PubChem (CID 66636085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).