1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole

C59H57N7 — CID 155186076

IUPAC1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
SMILESCC(C)C1=CC(n2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6nc7ccccc7n6-c6cc(C(C)C)cc(C(C)C)c6)cc5)n4)cc3)nc3ccccc32)=CC(C(C)C)C1
InChIInChI=1S/C59H57N7/c1-36(2)45-30-46(37(3)4)33-49(32-45)65-53-20-14-12-18-51(53)60-58(65)43-26-22-41(23-27-43)56-62-55(40-16-10-9-11-17-40)63-57(64-56)42-24-28-44(29-25-42)59-61-52-19-13-15-21-54(52)66(59)50-34-47(38(5)6)31-48(35-50)39(7)8/h9-30,32-39,47H,31H2,1-8H3
InChIKeyKTJMUUYDSZGQFD-UHFFFAOYSA-N
MW864.15 g/mol
LogP15.24
Rot. Bonds11

About 1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole

1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole (PubChem CID 155186076) has the molecular formula C59H57N7 and a molecular weight of 864.15 g/mol. Its IUPAC name is 1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
PubChem CID155186076
Molecular FormulaC59H57N7
Molecular Weight864.15 g/mol
Exact Mass863.47
IUPAC Name1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
SMILESCC(C)C1=CC(n2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6nc7ccccc7n6-c6cc(C(C)C)cc(C(C)C)c6)cc5)n4)cc3)nc3ccccc32)=CC(C(C)C)C1
InChIInChI=1S/C59H57N7/c1-36(2)45-30-46(37(3)4)33-49(32-45)65-53-20-14-12-18-51(53)60-58(65)43-26-22-41(23-27-43)56-62-55(40-16-10-9-11-17-40)63-57(64-56)42-24-28-44(29-25-42)59-61-52-19-13-15-21-54(52)66(59)50-34-47(38(5)6)31-48(35-50)39(7)8/h9-30,32-39,47H,31H2,1-8H3
InChIKeyKTJMUUYDSZGQFD-UHFFFAOYSA-N
XLogP15.24
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.15
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole with MolForge

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Related Compounds

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-propan-2-ylphenyl)benzimidazol-1-yl]phenyl]-2-(4-propan-2-ylphenyl)benzimidazole
CID 155173829
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
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-methylphenyl)benzimidazol-1-yl]phenyl]-2-(4-methylphenyl)benzimidazole
CID 155173966
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998
1-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
CID 155173845
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
2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]benzimidazole
CID 90362628

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The IUPAC name of 1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole (CID 155186076) is 1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The canonical SMILES for 1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole is CC(C)C1=CC(n2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6nc7ccccc7n6-c6cc(C(C)C)cc(C(C)C)c6)cc5)n4)cc3)nc3ccccc32)=CC(C(C)C)C1.
What is the InChIKey of 1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The InChIKey is KTJMUUYDSZGQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H57N7/c1-36(2)45-30-46(37(3)4)33-49(32-45)65-53-20-14-12-18-51(53)60-58(65)43-26-22-41(23-27-43)56-62-55(40-16-10-9-11-17-40)63-57(64-56)42-24-28-44(29-25-42)59-61-52-19-13-15-21-54(52)66(59)50-34-47(38(5)6)31-48(35-50)39(7)8/h9-30,32-39,47H,31H2,1-8H3.
What are the key properties of 1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole?
1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole has a molecular weight of 864.15 g/mol, XLogP of 15.24, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-[4-[4-[4-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 155186076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).