5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole

C62H40N6 — CID 140947989

IUPAC5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)n6c8ccccc8nc6n7-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5n5c6ccccc6nc45)cc3)cc2)cc1
InChIInChI=1S/C62H40N6/c1-3-11-41(12-4-1)43-19-23-45(24-20-43)47-27-33-51(34-28-47)65-57-37-31-49(39-59(57)67-55-17-9-7-15-53(55)63-61(65)67)50-32-38-58-60(40-50)68-56-18-10-8-16-54(56)64-62(68)66(58)52-35-29-48(30-36-52)46-25-21-44(22-26-46)42-13-5-2-6-14-42/h1-40H
InChIKeyBRSFQBWXLLOWJK-UHFFFAOYSA-N
MW869.04 g/mol
LogP15.51
Rot. Bonds7

About 5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole

5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 140947989) has the molecular formula C62H40N6 and a molecular weight of 869.04 g/mol. Its IUPAC name is 5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID140947989
Molecular FormulaC62H40N6
Molecular Weight869.04 g/mol
Exact Mass868.33
IUPAC Name5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)n6c8ccccc8nc6n7-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5n5c6ccccc6nc45)cc3)cc2)cc1
InChIInChI=1S/C62H40N6/c1-3-11-41(12-4-1)43-19-23-45(24-20-43)47-27-33-51(34-28-47)65-57-37-31-49(39-59(57)67-55-17-9-7-15-53(55)63-61(65)67)50-32-38-58-60(40-50)68-56-18-10-8-16-54(56)64-62(68)66(58)52-35-29-48(30-36-52)46-25-21-44(22-26-46)42-13-5-2-6-14-42/h1-40H
InChIKeyBRSFQBWXLLOWJK-UHFFFAOYSA-N
XLogP15.51
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.04
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
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
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
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
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
1-N,3-N-diphenyl-5-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 139482169
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 139480020
2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
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
N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155430382

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 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) is 5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2ccc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)n6c8ccccc8nc6n7-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5n5c6ccccc6nc45)cc3)cc2)cc1.
What is the InChIKey of 5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is BRSFQBWXLLOWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6/c1-3-11-41(12-4-1)43-19-23-45(24-20-43)47-27-33-51(34-28-47)65-57-37-31-49(39-59(57)67-55-17-9-7-15-53(55)63-61(65)67)50-32-38-58-60(40-50)68-56-18-10-8-16-54(56)64-62(68)66(58)52-35-29-48(30-36-52)46-25-21-44(22-26-46)42-13-5-2-6-14-42/h1-40H.
What are the key properties of 5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 869.04 g/mol, XLogP of 15.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140947989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).