6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile

C44H27N3O — CID 167387931

IUPAC6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile
SMILESN#Cc1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cccc12
InChIInChI=1S/C44H27N3O/c45-28-29-23-24-34-35-19-12-20-36(43(35)48-41(34)25-29)44-46-39-21-10-11-22-40(39)47(44)42-37(31-15-6-2-7-16-31)26-33(30-13-4-1-5-14-30)27-38(42)32-17-8-3-9-18-32/h1-27H
InChIKeyIWBMVKVFRFCQOX-UHFFFAOYSA-N
MW613.72 g/mol
LogP11.46
Rot. Bonds5

About 6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile

6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile (PubChem CID 167387931) has the molecular formula C44H27N3O and a molecular weight of 613.72 g/mol. Its IUPAC name is 6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile
PubChem CID167387931
Molecular FormulaC44H27N3O
Molecular Weight613.72 g/mol
Exact Mass613.22
IUPAC Name6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile
SMILESN#Cc1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cccc12
InChIInChI=1S/C44H27N3O/c45-28-29-23-24-34-35-19-12-20-36(43(35)48-41(34)25-29)44-46-39-21-10-11-22-40(39)47(44)42-37(31-15-6-2-7-16-31)26-33(30-13-4-1-5-14-30)27-38(42)32-17-8-3-9-18-32/h1-27H
InChIKeyIWBMVKVFRFCQOX-UHFFFAOYSA-N
XLogP11.46
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361
3-[6-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]benzonitrile
CID 171461592
6-[1-[4-[methyl(diphenyl)silyl]-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 172542709
6-[1-[4-di(propan-2-yl)phosphanyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 172542795
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
4-[8-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]benzonitrile
CID 171051825
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
1-[2,6-bis(2-deuteriopropan-2-yl)-4-phenylphenyl]-2-(7,8-dimethyldibenzofuran-4-yl)benzimidazole
CID 156658516
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(10,14,21-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-8-yl)benzimidazole
CID 168799242

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile?
The IUPAC name of 6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile (CID 167387931) is 6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile.
What is the SMILES notation for 6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile?
The canonical SMILES for 6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile is N#Cc1ccc2c(c1)oc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cccc12.
What is the InChIKey of 6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile?
The InChIKey is IWBMVKVFRFCQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O/c45-28-29-23-24-34-35-19-12-20-36(43(35)48-41(34)25-29)44-46-39-21-10-11-22-40(39)47(44)42-37(31-15-6-2-7-16-31)26-33(30-13-4-1-5-14-30)27-38(42)32-17-8-3-9-18-32/h1-27H.
What are the key properties of 6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile?
6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile has a molecular weight of 613.72 g/mol, XLogP of 11.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,4,6-triphenylphenyl)benzimidazol-2-yl]dibenzofuran-3-carbonitrile is sourced from PubChem (CID 167387931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).