1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole

C34H23N5 — CID 176879180

IUPAC1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3-n3c(-c4ccccc4)nc4ccccc43)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/C34H23N5/c1-4-14-24(15-5-1)31-36-32(25-16-6-2-7-17-25)38-33(37-31)27-20-10-12-22-29(27)39-30-23-13-11-21-28(30)35-34(39)26-18-8-3-9-19-26/h1-23H/i1D,2D,4D,5D,6D,7D,14D,15D,16D,17D
InChIKeyDBCOFTHFORHHIE-RIMVHXCBSA-N
MW511.65 g/mol
LogP7.88
Rot. Bonds5

About 1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole

1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole (PubChem CID 176879180) has the molecular formula C34H23N5 and a molecular weight of 511.65 g/mol. Its IUPAC name is 1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
PubChem CID176879180
Molecular FormulaC34H23N5
Molecular Weight511.65 g/mol
Exact Mass511.26
IUPAC Name1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3-n3c(-c4ccccc4)nc4ccccc43)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H]
InChIInChI=1S/C34H23N5/c1-4-14-24(15-5-1)31-36-32(25-16-6-2-7-17-25)38-33(37-31)27-20-10-12-22-29(27)39-30-23-13-11-21-28(30)35-34(39)26-18-8-3-9-19-26/h1-23H/i1D,2D,4D,5D,6D,7D,14D,15D,16D,17D
InChIKeyDBCOFTHFORHHIE-RIMVHXCBSA-N
XLogP7.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.65
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186007
1-[2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 169071303
1-[2-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 169070276
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
9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 168801624
2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 169070496
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169070720
1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 169071960
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-2-phenylbenzimidazole
CID 169071962
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole (CID 176879180) is 1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3-n3c(-c4ccccc4)nc4ccccc43)nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])n2)c([2H])c1[2H].
What is the InChIKey of 1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole?
The InChIKey is DBCOFTHFORHHIE-RIMVHXCBSA-N. The full InChI is InChI=1S/C34H23N5/c1-4-14-24(15-5-1)31-36-32(25-16-6-2-7-17-25)38-33(37-31)27-20-10-12-22-29(27)39-30-23-13-11-21-28(30)35-34(39)26-18-8-3-9-19-26/h1-23H/i1D,2D,4D,5D,6D,7D,14D,15D,16D,17D.
What are the key properties of 1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole?
1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole has a molecular weight of 511.65 g/mol, XLogP of 7.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 176879180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).