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

C37H23N3O — CID 66636022

IUPAC1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-c5cccc6c5[nH]c5ccccc56)cc4c3c2)cc1
InChIInChI=1S/C37H23N3O/c1-2-9-23(10-3-1)37-39-32-15-6-7-16-33(32)40(37)25-18-20-35-30(22-25)29-21-24(17-19-34(29)41-35)26-12-8-13-28-27-11-4-5-14-31(27)38-36(26)28/h1-22,38H
InChIKeyMQFJHVVEACLAOD-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.89
Rot. Bonds3

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

1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole (PubChem CID 66636022) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole.

Molecular Properties

Compound Name1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole
PubChem CID66636022
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-c5cccc6c5[nH]c5ccccc56)cc4c3c2)cc1
InChIInChI=1S/C37H23N3O/c1-2-9-23(10-3-1)37-39-32-15-6-7-16-33(32)40(37)25-18-20-35-30(22-25)29-21-24(17-19-34(29)41-35)26-12-8-13-28-27-11-4-5-14-31(27)38-36(26)28/h1-22,38H
InChIKeyMQFJHVVEACLAOD-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 1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole?
The IUPAC name of 1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole (CID 66636022) is 1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole.
What is the SMILES notation for 1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole?
The canonical SMILES for 1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole is c1ccc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-c5cccc6c5[nH]c5ccccc56)cc4c3c2)cc1.
What is the InChIKey of 1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole?
The InChIKey is MQFJHVVEACLAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-2-9-23(10-3-1)37-39-32-15-6-7-16-33(32)40(37)25-18-20-35-30(22-25)29-21-24(17-19-34(29)41-35)26-12-8-13-28-27-11-4-5-14-31(27)38-36(26)28/h1-22,38H.
What are the key properties of 1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole?
1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-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 1-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-9H-carbazole is sourced from PubChem (CID 66636022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).