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

C429H329N41 — CID 157231226

IUPAC2,6-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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1C#N.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccccc2)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(C#N)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(C#N)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.N#Cc1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.[C-]#[N+]c1c(-c2ccccc2)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/2C97H81N9.2C83H62N8.C69H43N7/c1-94(2,3)65-37-45-80-73(53-65)74-54-66(95(4,5)6)38-46-81(74)103(80)90-71(63-35-43-84-88(51-63)105-86-49-61(59-25-17-13-18-26-59)33-41-78(86)99-92(105)101(84)69-29-21-15-22-30-69)57-72(91(77(90)58-98)104-82-47-39-67(96(7,8)9)55-75(82)76-56-68(97(10,11)12)40-48-83(76)104)64-36-44-85-89(52-64)106-87-50-62(60-27-19-14-20-28-60)34-42-79(87)100-93(106)102(85)70-31-23-16-24-32-70;1-94(2,3)65-37-45-78-71(53-65)72-54-66(95(4,5)6)38-46-79(72)103(78)88-57-89(104-80-47-39-67(96(7,8)9)55-73(80)74-56-68(97(10,11)12)40-48-81(74)104)91(64-36-44-83-87(52-64)106-85-50-62(60-27-19-14-20-28-60)34-42-77(85)100-93(106)102(83)70-31-23-16-24-32-70)75(58-98)90(88)63-35-43-82-86(51-63)105-84-49-61(59-25-17-13-18-26-59)33-41-76(84)99-92(105)101(82)69-29-21-15-22-30-69;1-82(2,3)59-37-43-69-65(49-59)66-50-60(83(4,5)6)38-44-70(66)89(69)79-64(58-36-42-72-76(48-58)91-74-46-56(53-25-15-9-16-26-53)34-40-68(74)86-81(91)88(72)62-31-21-12-22-32-62)51-63(77(78(79)84-7)54-27-17-10-18-28-54)57-35-41-71-75(47-57)90-73-45-55(52-23-13-8-14-24-52)33-39-67(73)85-80(90)87(71)61-29-19-11-20-30-61;1-82(2,3)59-36-42-69-64(48-59)65-49-60(83(4,5)6)37-43-70(65)89(69)77-50-63(54-26-16-9-17-27-54)78(57-34-40-71-75(46-57)90-73-44-55(52-22-12-7-13-23-52)32-38-67(73)85-80(90)87(71)61-28-18-10-19-29-61)66(51-84)79(77)58-35-41-72-76(47-58)91-74-45-56(53-24-14-8-15-25-53)33-39-68(74)86-81(91)88(72)62-30-20-11-21-31-62;70-44-57-66(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/h2*13-57H,1-12H3;8-51H,1-6H3;7-50H,1-6H3;1-43H
InChIKeyAUCXQNNXTURIKH-UHFFFAOYSA-N
MW6058.64 g/mol
LogP110.08
Rot. Bonds40

About 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

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 (PubChem CID 157231226) has the molecular formula C429H329N41 and a molecular weight of 6058.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-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
PubChem CID157231226
Molecular FormulaC429H329N41
Molecular Weight6058.64 g/mol
Exact Mass6053.70
IUPAC Name2,6-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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1C#N.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccccc2)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(C#N)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(C#N)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.N#Cc1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.[C-]#[N+]c1c(-c2ccccc2)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/2C97H81N9.2C83H62N8.C69H43N7/c1-94(2,3)65-37-45-80-73(53-65)74-54-66(95(4,5)6)38-46-81(74)103(80)90-71(63-35-43-84-88(51-63)105-86-49-61(59-25-17-13-18-26-59)33-41-78(86)99-92(105)101(84)69-29-21-15-22-30-69)57-72(91(77(90)58-98)104-82-47-39-67(96(7,8)9)55-75(82)76-56-68(97(10,11)12)40-48-83(76)104)64-36-44-85-89(52-64)106-87-50-62(60-27-19-14-20-28-60)34-42-79(87)100-93(106)102(85)70-31-23-16-24-32-70;1-94(2,3)65-37-45-78-71(53-65)72-54-66(95(4,5)6)38-46-79(72)103(78)88-57-89(104-80-47-39-67(96(7,8)9)55-73(80)74-56-68(97(10,11)12)40-48-81(74)104)91(64-36-44-83-87(52-64)106-85-50-62(60-27-19-14-20-28-60)34-42-77(85)100-93(106)102(83)70-31-23-16-24-32-70)75(58-98)90(88)63-35-43-82-86(51-63)105-84-49-61(59-25-17-13-18-26-59)33-41-76(84)99-92(105)101(82)69-29-21-15-22-30-69;1-82(2,3)59-37-43-69-65(49-59)66-50-60(83(4,5)6)38-44-70(66)89(69)79-64(58-36-42-72-76(48-58)91-74-46-56(53-25-15-9-16-26-53)34-40-68(74)86-81(91)88(72)62-31-21-12-22-32-62)51-63(77(78(79)84-7)54-27-17-10-18-28-54)57-35-41-71-75(47-57)90-73-45-55(52-23-13-8-14-24-52)33-39-67(73)85-80(90)87(71)61-29-19-11-20-30-61;1-82(2,3)59-36-42-69-64(48-59)65-49-60(83(4,5)6)37-43-70(65)89(69)77-50-63(54-26-16-9-17-27-54)78(57-34-40-71-75(46-57)90-73-44-55(52-22-12-7-13-23-52)32-38-67(73)85-80(90)87(71)61-28-18-10-19-29-61)66(51-84)79(77)58-35-41-72-76(47-58)91-74-45-56(53-24-14-8-15-25-53)33-39-68(74)86-81(91)88(72)62-30-20-11-21-31-62;70-44-57-66(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/h2*13-57H,1-12H3;8-51H,1-6H3;7-50H,1-6H3;1-43H
InChIKeyAUCXQNNXTURIKH-UHFFFAOYSA-N
XLogP110.08
TPSA351.40 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds40
Heavy Atoms470
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006058.64
LogP ≤ 5110.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 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 with MolForge

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Related Compounds

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
3,5-bis(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile;3-(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenylbenzonitrile;5-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-3-isocyano-4-phenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 160698068
3,5-bis(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 155178235
2,6-di(carbazol-9-yl)-3,5-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzonitrile
CID 155178240
2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile
CID 155178346
3-(3-tert-butyl-6-propan-2-ylcarbazol-9-yl)-5-(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 167381573
5-(3,6-ditert-butylcarbazol-9-yl)-2-(3,6-ditert-butyl-9H-fluoren-9-yl)-3,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 167382636
2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile
CID 155178334
5-(3,6-ditert-butylcarbazol-9-yl)-2-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-(2,9-diphenyl-10bH-indolo[2,3-b]indol-5-yl)-3-phenylbenzonitrile
CID 177276842
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-(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
5-[2,4-bis(3,6-ditert-butylcarbazol-9-yl)-5-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-3-methylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167403966

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1C#N.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccccc2)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(C#N)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(C#N)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.N#Cc1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.[C-]#[N+]c1c(-c2ccccc2)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 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?
The InChIKey is AUCXQNNXTURIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C97H81N9.2C83H62N8.C69H43N7/c1-94(2,3)65-37-45-80-73(53-65)74-54-66(95(4,5)6)38-46-81(74)103(80)90-71(63-35-43-84-88(51-63)105-86-49-61(59-25-17-13-18-26-59)33-41-78(86)99-92(105)101(84)69-29-21-15-22-30-69)57-72(91(77(90)58-98)104-82-47-39-67(96(7,8)9)55-75(82)76-56-68(97(10,11)12)40-48-83(76)104)64-36-44-85-89(52-64)106-87-50-62(60-27-19-14-20-28-60)34-42-79(87)100-93(106)102(85)70-31-23-16-24-32-70;1-94(2,3)65-37-45-78-71(53-65)72-54-66(95(4,5)6)38-46-79(72)103(78)88-57-89(104-80-47-39-67(96(7,8)9)55-73(80)74-56-68(97(10,11)12)40-48-81(74)104)91(64-36-44-83-87(52-64)106-85-50-62(60-27-19-14-20-28-60)34-42-77(85)100-93(106)102(83)70-31-23-16-24-32-70)75(58-98)90(88)63-35-43-82-86(51-63)105-84-49-61(59-25-17-13-18-26-59)33-41-76(84)99-92(105)101(82)69-29-21-15-22-30-69;1-82(2,3)59-37-43-69-65(49-59)66-50-60(83(4,5)6)38-44-70(66)89(69)79-64(58-36-42-72-76(48-58)91-74-46-56(53-25-15-9-16-26-53)34-40-68(74)86-81(91)88(72)62-31-21-12-22-32-62)51-63(77(78(79)84-7)54-27-17-10-18-28-54)57-35-41-71-75(47-57)90-73-45-55(52-23-13-8-14-24-52)33-39-67(73)85-80(90)87(71)61-29-19-11-20-30-61;1-82(2,3)59-36-42-69-64(48-59)65-49-60(83(4,5)6)37-43-70(65)89(69)77-50-63(54-26-16-9-17-27-54)78(57-34-40-71-75(46-57)90-73-44-55(52-22-12-7-13-23-52)32-38-67(73)85-80(90)87(71)61-28-18-10-19-29-61)66(51-84)79(77)58-35-41-72-76(47-58)91-74-45-56(53-24-14-8-15-25-53)33-39-68(74)86-81(91)88(72)62-30-20-11-21-31-62;70-44-57-66(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/h2*13-57H,1-12H3;8-51H,1-6H3;7-50H,1-6H3;1-43H.
What are the key properties of 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?
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 has a molecular weight of 6058.64 g/mol, XLogP of 110.08, 40 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157231226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).