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

C60H39N9 — CID 152919581

IUPAC1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C60H39N9/c1-4-16-43(17-5-1)58-61-49-22-10-13-25-52(49)67(58)46-34-28-40(29-35-46)55-64-56(41-30-36-47(37-31-41)68-53-26-14-11-23-50(53)62-59(68)44-18-6-2-7-19-44)66-57(65-55)42-32-38-48(39-33-42)69-54-27-15-12-24-51(54)63-60(69)45-20-8-3-9-21-45/h1-39H
InChIKeyUIUOADQFUKBCNA-UHFFFAOYSA-N
MW886.04 g/mol
LogP13.89
Rot. Bonds9

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

1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole (PubChem CID 152919581) has the molecular formula C60H39N9 and a molecular weight of 886.04 g/mol. Its IUPAC name is 1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
PubChem CID152919581
Molecular FormulaC60H39N9
Molecular Weight886.04 g/mol
Exact Mass885.33
IUPAC Name1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C60H39N9/c1-4-16-43(17-5-1)58-61-49-22-10-13-25-52(49)67(58)46-34-28-40(29-35-46)55-64-56(41-30-36-47(37-31-41)68-53-26-14-11-23-50(53)62-59(68)44-18-6-2-7-19-44)66-57(65-55)42-32-38-48(39-33-42)69-54-27-15-12-24-51(54)63-60(69)45-20-8-3-9-21-45/h1-39H
InChIKeyUIUOADQFUKBCNA-UHFFFAOYSA-N
XLogP13.89
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.04
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
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
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
1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole
CID 155140715
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane
CID 174737756
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 163796534
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole (CID 152919581) is 1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)n3)cc2)cc1.
What is the InChIKey of 1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole?
The InChIKey is UIUOADQFUKBCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N9/c1-4-16-43(17-5-1)58-61-49-22-10-13-25-52(49)67(58)46-34-28-40(29-35-46)55-64-56(41-30-36-47(37-31-41)68-53-26-14-11-23-50(53)62-59(68)44-18-6-2-7-19-44)66-57(65-55)42-32-38-48(39-33-42)69-54-27-15-12-24-51(54)63-60(69)45-20-8-3-9-21-45/h1-39H.
What are the key properties of 1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole?
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole has a molecular weight of 886.04 g/mol, XLogP of 13.89, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 152919581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).