2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline

C31H21N3O — CID 138712154

IUPAC2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline
SMILESNc1ccccc1-c1nc2c(-c3cccc4c3oc3ccccc34)cccc2n1-c1ccccc1
InChIInChI=1S/C31H21N3O/c32-26-17-6-4-13-25(26)31-33-29-22(14-9-18-27(29)34(31)20-10-2-1-3-11-20)24-16-8-15-23-21-12-5-7-19-28(21)35-30(23)24/h1-19H,32H2
InChIKeyNWQCKPCANPKZIA-UHFFFAOYSA-N
MW451.53 g/mol
LogP7.84
Rot. Bonds3

About 2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline

2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline (PubChem CID 138712154) has the molecular formula C31H21N3O and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline
PubChem CID138712154
Molecular FormulaC31H21N3O
Molecular Weight451.53 g/mol
Exact Mass451.17
IUPAC Name2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline
SMILESNc1ccccc1-c1nc2c(-c3cccc4c3oc3ccccc34)cccc2n1-c1ccccc1
InChIInChI=1S/C31H21N3O/c32-26-17-6-4-13-25(26)31-33-29-22(14-9-18-27(29)34(31)20-10-2-1-3-11-20)24-16-8-15-23-21-12-5-7-19-28(21)35-30(23)24/h1-19H,32H2
InChIKeyNWQCKPCANPKZIA-UHFFFAOYSA-N
XLogP7.84
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657
2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline
CID 139539216
7-tert-butyl-2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 164827202
2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 156658408
6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine
CID 164826557
2-methyl-8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-c]pyridin-2-ium
CID 176644026
2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole
CID 58309599
4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole
CID 176642464
2-dibenzofuran-4-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500681
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153889
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline?
The IUPAC name of 2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline (CID 138712154) is 2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline?
The canonical SMILES for 2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline is Nc1ccccc1-c1nc2c(-c3cccc4c3oc3ccccc34)cccc2n1-c1ccccc1.
What is the InChIKey of 2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline?
The InChIKey is NWQCKPCANPKZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O/c32-26-17-6-4-13-25(26)31-33-29-22(14-9-18-27(29)34(31)20-10-2-1-3-11-20)24-16-8-15-23-21-12-5-7-19-28(21)35-30(23)24/h1-19H,32H2.
What are the key properties of 2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline?
2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline has a molecular weight of 451.53 g/mol, XLogP of 7.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-yl-1-phenylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 138712154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).