5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

C62H38N12 — CID 176871141

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc(-c5cccc(-c6cccc7c6n6c8ccccc8nc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4n4c5ccccc5nc34)n2)cc1
InChIInChI=1S/C62H38N12/c1-5-20-39(21-6-1)55-65-56(40-22-7-2-8-23-40)68-59(67-55)73-51-36-18-30-45(53(51)71-49-34-15-13-32-47(49)63-61(71)73)43-28-17-29-44(38-43)46-31-19-37-52-54(46)72-50-35-16-14-33-48(50)64-62(72)74(52)60-69-57(41-24-9-3-10-25-41)66-58(70-60)42-26-11-4-12-27-42/h1-38H
InChIKeyHGDNMWQMLMWZIL-UHFFFAOYSA-N
MW951.07 g/mol
LogP13.55
Rot. Bonds8

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 176871141) has the molecular formula C62H38N12 and a molecular weight of 951.07 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID176871141
Molecular FormulaC62H38N12
Molecular Weight951.07 g/mol
Exact Mass950.33
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc(-c5cccc(-c6cccc7c6n6c8ccccc8nc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4n4c5ccccc5nc34)n2)cc1
InChIInChI=1S/C62H38N12/c1-5-20-39(21-6-1)55-65-56(40-22-7-2-8-23-40)68-59(67-55)73-51-36-18-30-45(53(51)71-49-34-15-13-32-47(49)63-61(71)73)43-28-17-29-44(38-43)46-31-19-37-52-54(46)72-50-35-16-14-33-48(50)64-62(72)74(52)60-69-57(41-24-9-3-10-25-41)66-58(70-60)42-26-11-4-12-27-42/h1-38H
InChIKeyHGDNMWQMLMWZIL-UHFFFAOYSA-N
XLogP13.55
TPSA121.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.07
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
triphenyl-[3-[4-phenyl-6-[1-(9-phenylcarbazol-4-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane
CID 170367205
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463113
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297
5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 170295081
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,9,19,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-2(10),3,5,7,11,13,15,17,20,22,24,26-dodecaene
CID 155280910
11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646924
5-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248633
2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463116
3-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-6-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-6-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;5-phenyl-1-(6-phenylbenzimidazolo[1,2-a]benzimidazol-1-yl)benzimidazolo[1,2-a]benzimidazole;6-phenyl-1-(6-phenylbenzimidazolo[1,2-a]benzimidazol-1-yl)benzimidazolo[1,2-a]benzimidazole;6-phenyl-1-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-phenyl-4-(6-phenylbenzimidazolo[1,2-a]benzimidazol-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 158744801
19-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646439

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole (CID 176871141) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc(-c5cccc(-c6cccc7c6n6c8ccccc8nc6n7-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4n4c5ccccc5nc34)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is HGDNMWQMLMWZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N12/c1-5-20-39(21-6-1)55-65-56(40-22-7-2-8-23-40)68-59(67-55)73-51-36-18-30-45(53(51)71-49-34-15-13-32-47(49)63-61(71)73)43-28-17-29-44(38-43)46-31-19-37-52-54(46)72-50-35-16-14-33-48(50)64-62(72)74(52)60-69-57(41-24-9-3-10-25-41)66-58(70-60)42-26-11-4-12-27-42/h1-38H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 951.07 g/mol, XLogP of 13.55, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 176871141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).