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

C53H33N7 — CID 171812770

IUPAC1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2nc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C53H33N7/c1-3-15-35(16-4-1)52-55-46-24-12-14-26-48(46)60(52)53-57-49(34-27-29-36(30-28-34)51-54-45-23-11-13-25-47(45)59(51)38-17-5-2-6-18-38)56-50(58-53)37-31-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)44(43)33-37/h1-33H
InChIKeyLCNKXJPCTBYKPR-UHFFFAOYSA-N
MW767.90 g/mol
LogP12.68
Rot. Bonds6

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

1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole (PubChem CID 171812770) has the molecular formula C53H33N7 and a molecular weight of 767.90 g/mol. Its IUPAC name is 1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole
PubChem CID171812770
Molecular FormulaC53H33N7
Molecular Weight767.90 g/mol
Exact Mass767.28
IUPAC Name1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2nc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C53H33N7/c1-3-15-35(16-4-1)52-55-46-24-12-14-26-48(46)60(52)53-57-49(34-27-29-36(30-28-34)51-54-45-23-11-13-25-47(45)59(51)38-17-5-2-6-18-38)56-50(58-53)37-31-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)44(43)33-37/h1-33H
InChIKeyLCNKXJPCTBYKPR-UHFFFAOYSA-N
XLogP12.68
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.90
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[4-triphenylen-2-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]benzimidazole
CID 171812772
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
2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 171812807
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
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
2-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]-1-phenylbenzimidazole
CID 167410699
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole (CID 171812770) is 1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole is c1ccc(-c2nc3ccccc3n2-c2nc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.
What is the InChIKey of 1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The InChIKey is LCNKXJPCTBYKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N7/c1-3-15-35(16-4-1)52-55-46-24-12-14-26-48(46)60(52)53-57-49(34-27-29-36(30-28-34)51-54-45-23-11-13-25-47(45)59(51)38-17-5-2-6-18-38)56-50(58-53)37-31-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)44(43)33-37/h1-33H.
What are the key properties of 1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole?
1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole has a molecular weight of 767.90 g/mol, XLogP of 12.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 171812770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).