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

C37H23N3O — CID 66636023

IUPAC2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3oc4cccc(-c5ccc6c(c5)[nH]c5ccccc56)c4c3c2)cc1
InChIInChI=1S/C37H23N3O/c1-2-9-23(10-3-1)37-39-31-14-6-7-15-33(31)40(37)25-18-20-34-29(22-25)36-26(12-8-16-35(36)41-34)24-17-19-28-27-11-4-5-13-30(27)38-32(28)21-24/h1-22,38H
InChIKeyQSPCBVMPYDGMLP-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.89
Rot. Bonds3

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

2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole (PubChem CID 66636023) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole.

Molecular Properties

Compound Name2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole
PubChem CID66636023
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3oc4cccc(-c5ccc6c(c5)[nH]c5ccccc56)c4c3c2)cc1
InChIInChI=1S/C37H23N3O/c1-2-9-23(10-3-1)37-39-31-14-6-7-15-33(31)40(37)25-18-20-34-29(22-25)36-26(12-8-16-35(36)41-34)24-17-19-28-27-11-4-5-13-30(27)38-32(28)21-24/h1-22,38H
InChIKeyQSPCBVMPYDGMLP-UHFFFAOYSA-N
XLogP9.89
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 59.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole?
The IUPAC name of 2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole (CID 66636023) is 2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole.
What is the SMILES notation for 2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole?
The canonical SMILES for 2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole is c1ccc(-c2nc3ccccc3n2-c2ccc3oc4cccc(-c5ccc6c(c5)[nH]c5ccccc56)c4c3c2)cc1.
What is the InChIKey of 2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole?
The InChIKey is QSPCBVMPYDGMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-2-9-23(10-3-1)37-39-31-14-6-7-15-33(31)40(37)25-18-20-34-29(22-25)36-26(12-8-16-35(36)41-34)24-17-19-28-27-11-4-5-13-30(27)38-32(28)21-24/h1-22,38H.
What are the key properties of 2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole?
2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole has a molecular weight of 525.61 g/mol, XLogP of 9.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-1-yl]-9H-carbazole is sourced from PubChem (CID 66636023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).