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

C40H27N5 — CID 155173937

IUPAC2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
SMILESc1ccc(-c2cccc(-n3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc4ccccc43)c2)cc1
InChIInChI=1S/C40H27N5/c1-4-14-28(15-5-1)31-20-13-23-34(27-31)45-36-25-11-10-24-35(36)41-40(45)33-22-12-21-32(26-33)39-43-37(29-16-6-2-7-17-29)42-38(44-39)30-18-8-3-9-19-30/h1-27H
InChIKeyRNYOJDLILFXBNG-UHFFFAOYSA-N
MW577.69 g/mol
LogP9.55
Rot. Bonds6

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

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole (PubChem CID 155173937) has the molecular formula C40H27N5 and a molecular weight of 577.69 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole.

Molecular Properties

Compound Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
PubChem CID155173937
Molecular FormulaC40H27N5
Molecular Weight577.69 g/mol
Exact Mass577.23
IUPAC Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
SMILESc1ccc(-c2cccc(-n3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc4ccccc43)c2)cc1
InChIInChI=1S/C40H27N5/c1-4-14-28(15-5-1)31-20-13-23-34(27-31)45-36-25-11-10-24-35(36)41-40(45)33-22-12-21-32(26-33)39-43-37(29-16-6-2-7-17-29)42-38(44-39)30-18-8-3-9-19-30/h1-27H
InChIKeyRNYOJDLILFXBNG-UHFFFAOYSA-N
XLogP9.55
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-[4-phenyl-6-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
CID 170034469
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole
CID 155179260
2-[3-[4-phenyl-6-[3-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-3-ylbenzimidazole
CID 155185764
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]aniline
CID 121337566
2-phenyl-1-[3-[4-phenyl-6-[11-[4-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 165150877
1-phenyl-2-[4-[3-[4-[4-(4,5,6-trimethylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]benzimidazole
CID 147177465
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 148971314
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186086

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole?
The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole (CID 155173937) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole.
What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole?
The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole is c1ccc(-c2cccc(-n3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc4ccccc43)c2)cc1.
What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole?
The InChIKey is RNYOJDLILFXBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N5/c1-4-14-28(15-5-1)31-20-13-23-34(27-31)45-36-25-11-10-24-35(36)41-40(45)33-22-12-21-32(26-33)39-43-37(29-16-6-2-7-17-29)42-38(44-39)30-18-8-3-9-19-30/h1-27H.
What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole?
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole has a molecular weight of 577.69 g/mol, XLogP of 9.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole is sourced from PubChem (CID 155173937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).