6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole

C42H26N8 — CID 139407431

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4n4c5cc(-n6c7ccccc7n7c8ccccc8cc67)ccc5nc34)n2)cc1
InChIInChI=1S/C42H26N8/c1-3-13-27(14-4-1)39-44-40(28-15-5-2-6-16-28)46-41(45-39)50-36-22-12-11-21-35(36)49-37-26-30(23-24-31(37)43-42(49)50)47-33-19-9-10-20-34(33)48-32-18-8-7-17-29(32)25-38(47)48/h1-26H
InChIKeyHJABCBVTYWAFJQ-UHFFFAOYSA-N
MW642.73 g/mol
LogP9.30
Rot. Bonds4

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 139407431) has the molecular formula C42H26N8 and a molecular weight of 642.73 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole
PubChem CID139407431
Molecular FormulaC42H26N8
Molecular Weight642.73 g/mol
Exact Mass642.23
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4n4c5cc(-n6c7ccccc7n7c8ccccc8cc67)ccc5nc34)n2)cc1
InChIInChI=1S/C42H26N8/c1-3-13-27(14-4-1)39-44-40(28-15-5-2-6-16-28)46-41(45-39)50-36-22-12-11-21-35(36)49-37-26-30(23-24-31(37)43-42(49)50)47-33-19-9-10-20-34(33)48-32-18-8-7-17-29(32)25-38(47)48/h1-26H
InChIKeyHJABCBVTYWAFJQ-UHFFFAOYSA-N
XLogP9.30
TPSA70.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.73
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-a]benzimidazole
CID 139407350
5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 139407569
17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene
CID 138571403
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-indolo[1,2-a]benzimidazol-10-ylindolo[1,2-a]benzimidazole;10-(4-naphthalen-1-ylquinazolin-2-yl)indolo[1,2-a]benzimidazole;10-(4-naphthalen-2-ylquinazolin-2-yl)indolo[1,2-a]benzimidazole;10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole
CID 159420352
10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole
CID 139407585
7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 171448271
10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole
CID 139407423
10-(4-phenylphenyl)-2-[10-(4-phenylphenyl)indolo[1,2-a]benzimidazol-7-yl]indolo[1,2-a]benzimidazole
CID 139407345
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
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
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
CID 171448039

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole (CID 139407431) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4n4c5cc(-n6c7ccccc7n7c8ccccc8cc67)ccc5nc34)n2)cc1.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is HJABCBVTYWAFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N8/c1-3-13-27(14-4-1)39-44-40(28-15-5-2-6-16-28)46-41(45-39)50-36-22-12-11-21-35(36)49-37-26-30(23-24-31(37)43-42(49)50)47-33-19-9-10-20-34(33)48-32-18-8-7-17-29(32)25-38(47)48/h1-26H.
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 642.73 g/mol, XLogP of 9.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 139407431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).