2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile

C69H43N7 — CID 155178346

IUPAC2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile
SMILESN#Cc1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1
InChIInChI=1S/C69H43N7/c70-44-57-66(51-33-37-60-64(41-51)75-62-39-49(45-19-7-1-8-20-45)31-35-58(62)71-68(75)73(60)53-27-15-5-16-28-53)55(47-23-11-3-12-24-47)43-56(48-25-13-4-14-26-48)67(57)52-34-38-61-65(42-52)76-63-40-50(46-21-9-2-10-22-46)32-36-59(63)72-69(76)74(61)54-29-17-6-18-30-54/h1-43H
InChIKeyMHXVQAHUAVWINQ-UHFFFAOYSA-N
MW970.15 g/mol
LogP17.05
Rot. Bonds8

About 2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile

2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile (PubChem CID 155178346) has the molecular formula C69H43N7 and a molecular weight of 970.15 g/mol. Its IUPAC name is 2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile.

Molecular Properties

Compound Name2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile
PubChem CID155178346
Molecular FormulaC69H43N7
Molecular Weight970.15 g/mol
Exact Mass969.36
IUPAC Name2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile
SMILESN#Cc1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1
InChIInChI=1S/C69H43N7/c70-44-57-66(51-33-37-60-64(41-51)75-62-39-49(45-19-7-1-8-20-45)31-35-58(62)71-68(75)73(60)53-27-15-5-16-28-53)55(47-23-11-3-12-24-47)43-56(48-25-13-4-14-26-48)67(57)52-34-38-61-65(42-52)76-63-40-50(46-21-9-2-10-22-46)32-36-59(63)72-69(76)74(61)54-29-17-6-18-30-54/h1-43H
InChIKeyMHXVQAHUAVWINQ-UHFFFAOYSA-N
XLogP17.05
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.15
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,5-diphenylbenzimidazolo[1,2-a]benzimidazol-9-yl)-6-[5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-phenylbenzimidazolo[1,2-a]benzimidazol-9-yl]-3,5-diphenylbenzonitrile
CID 155178330
2,6-di(carbazol-9-yl)-3,5-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzonitrile
CID 155178240
3,5-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-2,6-diphenylbenzonitrile;2-carbazol-9-yl-3,5-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-6-phenylbenzonitrile;3-carbazol-9-yl-2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-phenylbenzonitrile;2-[2,4-di(carbazol-9-yl)-5-(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3-isocyanophenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole;2-[4,6-di(carbazol-9-yl)-3-(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-2-isocyanophenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 159931387
2,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-3,5-diphenylbenzonitrile;3,5-diphenyl-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 160926602
2-carbazol-9-yl-3-(2,5-diphenylbenzimidazolo[1,2-a]benzimidazol-9-yl)-5-(2,5-diphenylbenzotriazolo[1,2-a]benzotriazol-6-ium-10-yl)-6-phenylbenzonitrile
CID 169076229
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-3,5-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzonitrile;3,5-bis(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzonitrile;2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile;3-(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-phenylbenzonitrile;2-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3-isocyano-4-phenylphenyl]-5,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 157231226
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]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
2,6-di(carbazol-9-yl)-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 155178332
2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile
CID 155178334
2-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-9-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 154624114

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile?
The IUPAC name of 2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile (CID 155178346) is 2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile.
What is the SMILES notation for 2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile?
The canonical SMILES for 2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile is N#Cc1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.
What is the InChIKey of 2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile?
The InChIKey is MHXVQAHUAVWINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N7/c70-44-57-66(51-33-37-60-64(41-51)75-62-39-49(45-19-7-1-8-20-45)31-35-58(62)71-68(75)73(60)53-27-15-5-16-28-53)55(47-23-11-3-12-24-47)43-56(48-25-13-4-14-26-48)67(57)52-34-38-61-65(42-52)76-63-40-50(46-21-9-2-10-22-46)32-36-59(63)72-69(76)74(61)54-29-17-6-18-30-54/h1-43H.
What are the key properties of 2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile?
2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile has a molecular weight of 970.15 g/mol, XLogP of 17.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile is sourced from PubChem (CID 155178346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).