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

C136H84N12 — CID 160926602

IUPAC2,6-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
SMILESN#Cc1c(-n2c3ccc(-c4ccccc4)cc3n3c4cc(-c5ccccc5)ccc4nc23)c(-c2ccccc2)cc(-c2ccccc2)c1-n1c2ccc(-c3ccccc3)cc2n2c3cc(-c4ccccc4)ccc3nc12.N#Cc1c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccccc2)cc(-c2ccccc2)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C69H43N7.C67H41N5/c70-44-57-66(75-60-37-33-53(47-23-11-3-12-24-47)41-64(60)73-62-39-51(45-19-7-1-8-20-45)31-35-58(62)71-68(73)75)55(49-27-15-5-16-28-49)43-56(50-29-17-6-18-30-50)67(57)76-61-38-34-54(48-25-13-4-14-26-48)42-65(61)74-63-40-52(46-21-9-2-10-22-46)32-36-59(63)72-69(74)76;68-42-55-64(71-56-33-17-13-29-47(56)49-37-39-60-62(66(49)71)51-31-15-19-35-58(51)69(60)45-25-9-3-10-26-45)53(43-21-5-1-6-22-43)41-54(44-23-7-2-8-24-44)65(55)72-57-34-18-14-30-48(57)50-38-40-61-63(67(50)72)52-32-16-20-36-59(52)70(61)46-27-11-4-12-28-46/h1-43H;1-41H
InChIKeySSSMCRBXYBPHJZ-UHFFFAOYSA-N
MW1886.25 g/mol
LogP34.33
Rot. Bonds14

About 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

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 (PubChem CID 160926602) has the molecular formula C136H84N12 and a molecular weight of 1886.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-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
PubChem CID160926602
Molecular FormulaC136H84N12
Molecular Weight1886.25 g/mol
Exact Mass1884.69
IUPAC Name2,6-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
SMILESN#Cc1c(-n2c3ccc(-c4ccccc4)cc3n3c4cc(-c5ccccc5)ccc4nc23)c(-c2ccccc2)cc(-c2ccccc2)c1-n1c2ccc(-c3ccccc3)cc2n2c3cc(-c4ccccc4)ccc3nc12.N#Cc1c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccccc2)cc(-c2ccccc2)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C69H43N7.C67H41N5/c70-44-57-66(75-60-37-33-53(47-23-11-3-12-24-47)41-64(60)73-62-39-51(45-19-7-1-8-20-45)31-35-58(62)71-68(73)75)55(49-27-15-5-16-28-49)43-56(50-29-17-6-18-30-50)67(57)76-61-38-34-54(48-25-13-4-14-26-48)42-65(61)74-63-40-52(46-21-9-2-10-22-46)32-36-59(63)72-69(74)76;68-42-55-64(71-56-33-17-13-29-47(56)49-37-39-60-62(66(49)71)51-31-15-19-35-58(51)69(60)45-25-9-3-10-26-45)53(43-21-5-1-6-22-43)41-54(44-23-7-2-8-24-44)65(55)72-57-34-18-14-30-48(57)50-38-40-61-63(67(50)72)52-32-16-20-36-59(52)70(61)46-27-11-4-12-28-46/h1-43H;1-41H
InChIKeySSSMCRBXYBPHJZ-UHFFFAOYSA-N
XLogP34.33
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001886.25
LogP ≤ 534.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

2,6-di(carbazol-9-yl)-3,5-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzonitrile
CID 155178240
2,6-di(carbazol-9-yl)-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 155178332
2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile
CID 155178346
2-[3,5-diphenyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163600124
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
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
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-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile
CID 155178334
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 146280664
12-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 146280424
5-[4-carbazol-9-yl-3-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-2-methyl-6-phenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167403626
4,5-di(carbazol-9-yl)-6-[3-[9-[2,3-di(carbazol-9-yl)-4,6-dicyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]carbazol-3-yl]carbazol-9-yl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166855916

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1c(-n2c3ccc(-c4ccccc4)cc3n3c4cc(-c5ccccc5)ccc4nc23)c(-c2ccccc2)cc(-c2ccccc2)c1-n1c2ccc(-c3ccccc3)cc2n2c3cc(-c4ccccc4)ccc3nc12.N#Cc1c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccccc2)cc(-c2ccccc2)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.
What is the InChIKey of 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?
The InChIKey is SSSMCRBXYBPHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N7.C67H41N5/c70-44-57-66(75-60-37-33-53(47-23-11-3-12-24-47)41-64(60)73-62-39-51(45-19-7-1-8-20-45)31-35-58(62)71-68(73)75)55(49-27-15-5-16-28-49)43-56(50-29-17-6-18-30-50)67(57)76-61-38-34-54(48-25-13-4-14-26-48)42-65(61)74-63-40-52(46-21-9-2-10-22-46)32-36-59(63)72-69(74)76;68-42-55-64(71-56-33-17-13-29-47(56)49-37-39-60-62(66(49)71)51-31-15-19-35-58(51)69(60)45-25-9-3-10-26-45)53(43-21-5-1-6-22-43)41-54(44-23-7-2-8-24-44)65(55)72-57-34-18-14-30-48(57)50-38-40-61-63(67(50)72)52-32-16-20-36-59(52)70(61)46-27-11-4-12-28-46/h1-43H;1-41H.
What are the key properties of 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?
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 has a molecular weight of 1886.25 g/mol, XLogP of 34.33, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160926602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).