1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole

C70H52N4 — CID 158707390

IUPAC1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole
SMILESCc1ccc2c(c1)nc(-c1ccccc1)n2-c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C38H28N2.C32H24N2/c1-27-22-23-36-35(24-27)39-38(31-20-12-5-13-21-31)40(36)37-33(29-16-8-3-9-17-29)25-32(28-14-6-2-7-15-28)26-34(37)30-18-10-4-11-19-30;1-23-20-21-30-29(22-23)33-32(26-16-9-4-10-17-26)34(30)31-27(24-12-5-2-6-13-24)18-11-19-28(31)25-14-7-3-8-15-25/h2-26H,1H3;2-22H,1H3
InChIKeyIIHAQTKGGCZBBP-UHFFFAOYSA-N
MW949.21 g/mol
LogP18.34
Rot. Bonds9

About 1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole

1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole (PubChem CID 158707390) has the molecular formula C70H52N4 and a molecular weight of 949.21 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole.

Molecular Properties

Compound Name1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole
PubChem CID158707390
Molecular FormulaC70H52N4
Molecular Weight949.21 g/mol
Exact Mass948.42
IUPAC Name1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole
SMILESCc1ccc2c(c1)nc(-c1ccccc1)n2-c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C38H28N2.C32H24N2/c1-27-22-23-36-35(24-27)39-38(31-20-12-5-13-21-31)40(36)37-33(29-16-8-3-9-17-29)25-32(28-14-6-2-7-15-28)26-34(37)30-18-10-4-11-19-30;1-23-20-21-30-29(22-23)33-32(26-16-9-4-10-17-26)34(30)31-27(24-12-5-2-6-13-24)18-11-19-28(31)25-14-7-3-8-15-25/h2-26H,1H3;2-22H,1H3
InChIKeyIIHAQTKGGCZBBP-UHFFFAOYSA-N
XLogP18.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.21
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1,2-diphenylbenzimidazole
CID 45104351
1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole
CID 143996079
5-methyl-2-phenyl-1-pyridin-4-ylbenzimidazole
CID 59593987
1-[2-(2,2-dimethylpropyl)-6-[4-[1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-phenylbenzimidazol-5-yl]-2,2-dimethylbutyl]phenyl]-5-methyl-2-phenylbenzimidazole
CID 90985376
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3-methylcarbazole
CID 158199307
1-tert-butyl-5-methyl-2-phenylbenzimidazole
CID 151472435
2-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-5-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624399
7-phenylisoindolo[2,3-a]benzimidazol-11-one
CID 23881857
5-methyl-2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624338
5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole
CID 143996063
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622
1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 59010697

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole?
The IUPAC name of 1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole (CID 158707390) is 1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole.
What is the SMILES notation for 1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole?
The canonical SMILES for 1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole is Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Cc1ccc2c(c1)nc(-c1ccccc1)n2-c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole?
The InChIKey is IIHAQTKGGCZBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2.C32H24N2/c1-27-22-23-36-35(24-27)39-38(31-20-12-5-13-21-31)40(36)37-33(29-16-8-3-9-17-29)25-32(28-14-6-2-7-15-28)26-34(37)30-18-10-4-11-19-30;1-23-20-21-30-29(22-23)33-32(26-16-9-4-10-17-26)34(30)31-27(24-12-5-2-6-13-24)18-11-19-28(31)25-14-7-3-8-15-25/h2-26H,1H3;2-22H,1H3.
What are the key properties of 1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole?
1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole has a molecular weight of 949.21 g/mol, XLogP of 18.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole is sourced from PubChem (CID 158707390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).