2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole

C113H80N18 — CID 161312115

IUPAC2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
SMILESCC(C)(C)c1ccc2c(c1)n1c3ccccc3nc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[2H]C([2H])([2H])c1ccc2c(c1)n1c3ccccc3nc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C40H26N6.C38H30N6.C35H24N6/c1-4-12-27(13-5-1)31-22-25-35-36(26-31)46-34-19-11-10-18-33(34)41-40(46)45(35)32-23-20-30(21-24-32)39-43-37(28-14-6-2-7-15-28)42-38(44-39)29-16-8-3-9-17-29;1-38(2,3)28-20-23-32-33(24-28)44-31-17-11-10-16-30(31)39-37(44)43(32)29-21-18-27(19-22-29)36-41-34(25-12-6-4-7-13-25)40-35(42-36)26-14-8-5-9-15-26;1-23-16-21-30-31(22-23)41-29-15-9-8-14-28(29)36-35(41)40(30)27-19-17-26(18-20-27)34-38-32(24-10-4-2-5-11-24)37-33(39-34)25-12-6-3-7-13-25/h1-26H;4-24H,1-3H3;2-22H,1H3/i;;1D3
InChIKeyVJALAQNISWERDN-UKFLQOKQSA-N
MW1693.03 g/mol
LogP26.13
Rot. Bonds14

About 2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole

2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 161312115) has the molecular formula C113H80N18 and a molecular weight of 1693.03 g/mol. Its IUPAC name is 2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID161312115
Molecular FormulaC113H80N18
Molecular Weight1693.03 g/mol
Exact Mass1691.70
IUPAC Name2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
SMILESCC(C)(C)c1ccc2c(c1)n1c3ccccc3nc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[2H]C([2H])([2H])c1ccc2c(c1)n1c3ccccc3nc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C40H26N6.C38H30N6.C35H24N6/c1-4-12-27(13-5-1)31-22-25-35-36(26-31)46-34-19-11-10-18-33(34)41-40(46)45(35)32-23-20-30(21-24-32)39-43-37(28-14-6-2-7-15-28)42-38(44-39)29-16-8-3-9-17-29;1-38(2,3)28-20-23-32-33(24-28)44-31-17-11-10-16-30(31)39-37(44)43(32)29-21-18-27(19-22-29)36-41-34(25-12-6-4-7-13-25)40-35(42-36)26-14-8-5-9-15-26;1-23-16-21-30-31(22-23)41-29-15-9-8-14-28(29)36-35(41)40(30)27-19-17-26(18-20-27)34-38-32(24-10-4-2-5-11-24)37-33(39-34)25-12-6-3-7-13-25/h1-26H;4-24H,1-3H3;2-22H,1H3/i;;1D3
InChIKeyVJALAQNISWERDN-UKFLQOKQSA-N
XLogP26.13
TPSA182.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001693.03
LogP ≤ 526.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140948081
N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482162
2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463116
5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167399216
5-[2,4-bis(3,6-ditert-butylcarbazol-9-yl)-5-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-3-methylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167403966
9-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]carbazol-3-yl]-3-[9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-6-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 139315810

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole (CID 161312115) is 2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole is CC(C)(C)c1ccc2c(c1)n1c3ccccc3nc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[2H]C([2H])([2H])c1ccc2c(c1)n1c3ccccc3nc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)n2c4ccccc4nc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is VJALAQNISWERDN-UKFLQOKQSA-N. The full InChI is InChI=1S/C40H26N6.C38H30N6.C35H24N6/c1-4-12-27(13-5-1)31-22-25-35-36(26-31)46-34-19-11-10-18-33(34)41-40(46)45(35)32-23-20-30(21-24-32)39-43-37(28-14-6-2-7-15-28)42-38(44-39)29-16-8-3-9-17-29;1-38(2,3)28-20-23-32-33(24-28)44-31-17-11-10-16-30(31)39-37(44)43(32)29-21-18-27(19-22-29)36-41-34(25-12-6-4-7-13-25)40-35(42-36)26-14-8-5-9-15-26;1-23-16-21-30-31(22-23)41-29-15-9-8-14-28(29)36-35(41)40(30)27-19-17-26(18-20-27)34-38-32(24-10-4-2-5-11-24)37-33(39-34)25-12-6-3-7-13-25/h1-26H;4-24H,1-3H3;2-22H,1H3/i;;1D3.
What are the key properties of 2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole?
2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 1693.03 g/mol, XLogP of 26.13, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 161312115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).