2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole

C38H25N5 — CID 129099562

IUPAC2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4cc3-c3nc4ccccc4n3-c3ccccc3)n2)cc1
InChIInChI=1S/C38H25N5/c1-4-14-26(15-5-1)35-40-36(27-16-6-2-7-17-27)42-37(41-35)31-24-28-18-10-11-19-29(28)25-32(31)38-39-33-22-12-13-23-34(33)43(38)30-20-8-3-9-21-30/h1-25H
InChIKeyGKOGKVXUJLLJLM-UHFFFAOYSA-N
MW551.65 g/mol
LogP9.03
Rot. Bonds5

About 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole (PubChem CID 129099562) has the molecular formula C38H25N5 and a molecular weight of 551.65 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
PubChem CID129099562
Molecular FormulaC38H25N5
Molecular Weight551.65 g/mol
Exact Mass551.21
IUPAC Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4cc3-c3nc4ccccc4n3-c3ccccc3)n2)cc1
InChIInChI=1S/C38H25N5/c1-4-14-26(15-5-1)35-40-36(27-16-6-2-7-17-27)42-37(41-35)31-24-28-18-10-11-19-29(28)25-32(31)38-39-33-22-12-13-23-34(33)43(38)30-20-8-3-9-21-30/h1-25H
InChIKeyGKOGKVXUJLLJLM-UHFFFAOYSA-N
XLogP9.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
1-phenyl-2-[3-(1-phenylnaphthalen-2-yl)naphthalen-2-yl]benzimidazole
CID 142488113
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
2-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-1-phenylbenzimidazole
CID 70830045
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(2-methylphenyl)benzimidazol-1-yl]phenyl]-2-(2-methylphenyl)benzimidazole
CID 155173960
4-[3-[3-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488060
1-[3,5-di(propan-2-yl)phenyl]-2-[2-[4-[2-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186043
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole (CID 129099562) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4cc3-c3nc4ccccc4n3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole?
The InChIKey is GKOGKVXUJLLJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5/c1-4-14-26(15-5-1)35-40-36(27-16-6-2-7-17-27)42-37(41-35)31-24-28-18-10-11-19-29(28)25-32(31)38-39-33-22-12-13-23-34(33)43(38)30-20-8-3-9-21-30/h1-25H.
What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole?
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole has a molecular weight of 551.65 g/mol, XLogP of 9.03, 5 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)naphthalen-2-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 129099562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).