4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile

C38H25N3O — CID 152933845

IUPAC4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3oc4ccc(-c5ccc(N6C(c7ccccc7)=NC7C=CC=CC76)cc5)cc4c23)cc1
InChIInChI=1S/C38H25N3O/c39-24-25-13-15-27(16-14-25)31-9-6-12-36-37(31)32-23-29(19-22-35(32)42-36)26-17-20-30(21-18-26)41-34-11-5-4-10-33(34)40-38(41)28-7-2-1-3-8-28/h1-23,33-34H
InChIKeyULMJPRLXHHBXDG-UHFFFAOYSA-N
MW539.64 g/mol
LogP8.92
Rot. Bonds4

About 4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile

4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile (PubChem CID 152933845) has the molecular formula C38H25N3O and a molecular weight of 539.64 g/mol. Its IUPAC name is 4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile
PubChem CID152933845
Molecular FormulaC38H25N3O
Molecular Weight539.64 g/mol
Exact Mass539.20
IUPAC Name4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3oc4ccc(-c5ccc(N6C(c7ccccc7)=NC7C=CC=CC76)cc5)cc4c23)cc1
InChIInChI=1S/C38H25N3O/c39-24-25-13-15-27(16-14-25)31-9-6-12-36-37(31)32-23-29(19-22-35(32)42-36)26-17-20-30(21-18-26)41-34-11-5-4-10-33(34)40-38(41)28-7-2-1-3-8-28/h1-23,33-34H
InChIKeyULMJPRLXHHBXDG-UHFFFAOYSA-N
XLogP8.92
TPSA52.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzonitrile
CID 164821868
4-(7-dibenzofuran-1-ylnaphthalen-2-yl)benzonitrile
CID 70847339
4-[4-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774820
4-[9-(4-cyanophenyl)dibenzofuran-3-yl]-2-phenyl-6-(4-phenylphenyl)benzonitrile
CID 176994591
4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile
CID 176994433
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
4-[4-[4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774590
5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 139342404
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile
CID 70847283
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzonitrile
CID 139522713
4-[4-[4-(3-dibenzofuran-1-yl-5,6-diphenylpyrazin-2-yl)phenyl]phenyl]benzonitrile
CID 156509423

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile?
The IUPAC name of 4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile (CID 152933845) is 4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile.
What is the SMILES notation for 4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile?
The canonical SMILES for 4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile is N#Cc1ccc(-c2cccc3oc4ccc(-c5ccc(N6C(c7ccccc7)=NC7C=CC=CC76)cc5)cc4c23)cc1.
What is the InChIKey of 4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile?
The InChIKey is ULMJPRLXHHBXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O/c39-24-25-13-15-27(16-14-25)31-9-6-12-36-37(31)32-23-29(19-22-35(32)42-36)26-17-20-30(21-18-26)41-34-11-5-4-10-33(34)40-38(41)28-7-2-1-3-8-28/h1-23,33-34H.
What are the key properties of 4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile?
4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile has a molecular weight of 539.64 g/mol, XLogP of 8.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(2-phenyl-3a,7a-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-1-yl]benzonitrile is sourced from PubChem (CID 152933845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).