1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole

C48H34ClN5 — CID 177249955

IUPAC1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3Cl)n2)cc(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C48H34ClN5/c1-2-45-50-42-26-14-16-28-44(42)54(45)43-27-15-12-23-39(43)35-29-34(38-22-10-9-21-37(38)32-17-5-3-6-18-32)30-36(31-35)47-51-46(33-19-7-4-8-20-33)52-48(53-47)40-24-11-13-25-41(40)49/h3-31H,2H2,1H3
InChIKeyZGWWYTKPEHRPMV-UHFFFAOYSA-N
MW716.29 g/mol
LogP12.43
Rot. Bonds8

About 1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole

1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole (PubChem CID 177249955) has the molecular formula C48H34ClN5 and a molecular weight of 716.29 g/mol. Its IUPAC name is 1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole
PubChem CID177249955
Molecular FormulaC48H34ClN5
Molecular Weight716.29 g/mol
Exact Mass715.25
IUPAC Name1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1-c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3Cl)n2)cc(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C48H34ClN5/c1-2-45-50-42-26-14-16-28-44(42)54(45)43-27-15-12-23-39(43)35-29-34(38-22-10-9-21-37(38)32-17-5-3-6-18-32)30-36(31-35)47-51-46(33-19-7-4-8-20-33)52-48(53-47)40-24-11-13-25-41(40)49/h3-31H,2H2,1H3
InChIKeyZGWWYTKPEHRPMV-UHFFFAOYSA-N
XLogP12.43
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.29
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]phenyl]-2-methylbenzimidazole
CID 176896423
2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186007
2-ethyl-1-[3-phenanthren-9-yl-5-[4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzimidazole
CID 176622558
2-(2-chlorophenyl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155151395
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-ethylbenzimidazole
CID 176622561
2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
CID 155173901
1-[2-[4-phenyl-6-[2-[2-(2-propan-2-ylphenyl)benzimidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(2-propan-2-ylphenyl)benzimidazole
CID 155185803
2-ethyl-1-[2-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 169070062
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599
9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 163491077
1-[2-[10-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,2,3,4,5,6,7,8-octadeuterioanthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 169070522
2-ethyl-1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]benzimidazole
CID 169070045

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole?
The IUPAC name of 1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole (CID 177249955) is 1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole.
What is the SMILES notation for 1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole?
The canonical SMILES for 1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole is CCc1nc2ccccc2n1-c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3Cl)n2)cc(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole?
The InChIKey is ZGWWYTKPEHRPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34ClN5/c1-2-45-50-42-26-14-16-28-44(42)54(45)43-27-15-12-23-39(43)35-29-34(38-22-10-9-21-37(38)32-17-5-3-6-18-32)30-36(31-35)47-51-46(33-19-7-4-8-20-33)52-48(53-47)40-24-11-13-25-41(40)49/h3-31H,2H2,1H3.
What are the key properties of 1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole?
1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole has a molecular weight of 716.29 g/mol, XLogP of 12.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[4-(2-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2-phenylphenyl)phenyl]phenyl]-2-ethylbenzimidazole is sourced from PubChem (CID 177249955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).