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

C381H233N41 — CID 159931387

IUPAC3,5-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
SMILESN#Cc1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/2C81H49N9.2C75H46N8.C69H43N7/c1-82-77-78(87-67-34-18-14-30-59(67)60-31-15-19-35-68(60)87)63(55-40-44-71-75(48-55)89-73-46-53(51-22-6-2-7-23-51)38-42-65(73)83-80(89)85(71)57-26-10-4-11-27-57)50-64(79(77)88-69-36-20-16-32-61(69)62-33-17-21-37-70(62)88)56-41-45-72-76(49-56)90-74-47-54(52-24-8-3-9-25-52)39-43-66(74)84-81(90)86(72)58-28-12-5-13-29-58;1-82-79-77(55-40-44-69-73(48-55)89-71-46-53(51-22-6-2-7-23-51)38-42-63(71)83-80(89)85(69)57-26-10-4-11-27-57)75(87-65-34-18-14-30-59(65)60-31-15-19-35-66(60)87)50-76(88-67-36-20-16-32-61(67)62-33-17-21-37-68(62)88)78(79)56-41-45-70-74(49-56)90-72-47-54(52-24-8-3-9-25-52)39-43-64(72)84-81(90)86(70)58-28-12-5-13-29-58;76-47-61-72(50-24-10-3-11-25-50)59(53-36-40-66-70(44-53)82-68-42-51(48-20-6-1-7-21-48)34-38-62(68)77-74(82)79(66)55-26-12-4-13-27-55)46-60(73(61)81-64-32-18-16-30-57(64)58-31-17-19-33-65(58)81)54-37-41-67-71(45-54)83-69-43-52(49-22-8-2-9-23-49)35-39-63(69)78-75(83)80(67)56-28-14-5-15-29-56;76-47-60-72(53-36-40-65-69(44-53)82-67-42-51(48-20-6-1-7-21-48)34-38-61(67)77-74(82)79(65)55-26-12-4-13-27-55)59(50-24-10-3-11-25-50)46-71(81-63-32-18-16-30-57(63)58-31-17-19-33-64(58)81)73(60)54-37-41-66-70(45-54)83-68-43-52(49-22-8-2-9-23-49)35-39-62(68)78-75(83)80(66)56-28-14-5-15-29-56;70-44-57-66(47-23-11-3-12-24-47)55(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)43-56(67(57)48-25-13-4-14-26-48)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*2-50H;2*1-46H;1-43H
InChIKeyNZRKDSXLUNHAPQ-UHFFFAOYSA-N
MW5385.34 g/mol
LogP95.19
Rot. Bonds40

About 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

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 (PubChem CID 159931387) has the molecular formula C381H233N41 and a molecular weight of 5385.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,5-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
PubChem CID159931387
Molecular FormulaC381H233N41
Molecular Weight5385.34 g/mol
Exact Mass5380.95
IUPAC Name3,5-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
SMILESN#Cc1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/2C81H49N9.2C75H46N8.C69H43N7/c1-82-77-78(87-67-34-18-14-30-59(67)60-31-15-19-35-68(60)87)63(55-40-44-71-75(48-55)89-73-46-53(51-22-6-2-7-23-51)38-42-65(73)83-80(89)85(71)57-26-10-4-11-27-57)50-64(79(77)88-69-36-20-16-32-61(69)62-33-17-21-37-70(62)88)56-41-45-72-76(49-56)90-74-47-54(52-24-8-3-9-25-52)39-43-66(74)84-81(90)86(72)58-28-12-5-13-29-58;1-82-79-77(55-40-44-69-73(48-55)89-71-46-53(51-22-6-2-7-23-51)38-42-63(71)83-80(89)85(69)57-26-10-4-11-27-57)75(87-65-34-18-14-30-59(65)60-31-15-19-35-66(60)87)50-76(88-67-36-20-16-32-61(67)62-33-17-21-37-68(62)88)78(79)56-41-45-70-74(49-56)90-72-47-54(52-24-8-3-9-25-52)39-43-64(72)84-81(90)86(70)58-28-12-5-13-29-58;76-47-61-72(50-24-10-3-11-25-50)59(53-36-40-66-70(44-53)82-68-42-51(48-20-6-1-7-21-48)34-38-62(68)77-74(82)79(66)55-26-12-4-13-27-55)46-60(73(61)81-64-32-18-16-30-57(64)58-31-17-19-33-65(58)81)54-37-41-67-71(45-54)83-69-43-52(49-22-8-2-9-23-49)35-39-63(69)78-75(83)80(67)56-28-14-5-15-29-56;76-47-60-72(53-36-40-65-69(44-53)82-67-42-51(48-20-6-1-7-21-48)34-38-61(67)77-74(82)79(65)55-26-12-4-13-27-55)59(50-24-10-3-11-25-50)46-71(81-63-32-18-16-30-57(63)58-31-17-19-33-64(58)81)73(60)54-37-41-66-70(45-54)83-68-43-52(49-22-8-2-9-23-49)35-39-62(68)78-75(83)80(66)56-28-14-5-15-29-56;70-44-57-66(47-23-11-3-12-24-47)55(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)43-56(67(57)48-25-13-4-14-26-48)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*2-50H;2*1-46H;1-43H
InChIKeyNZRKDSXLUNHAPQ-UHFFFAOYSA-N
XLogP95.19
TPSA331.97 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds40
Heavy Atoms422
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005385.34
LogP ≤ 595.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 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 with MolForge

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Related Compounds

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-di(carbazol-9-yl)-3,5-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzonitrile
CID 155178240
2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile
CID 155178334
2,6-bis(5,9-diphenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-3,5-diphenylbenzonitrile
CID 155178346
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
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-di(carbazol-9-yl)-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 155178332
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-(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-[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
3,5-bis(3,6-ditert-butylcarbazol-9-yl)-2,6-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 155178235
2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(9-phenylcarbazol-3-yl)benzonitrile
CID 165007791

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)n1c3cc(-c4ccccc4)ccc3nc1n2-c1ccccc1.[C-]#[N+]c1c(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)cc(-c2ccc3c(c2)n2c4cc(-c5ccccc5)ccc4nc2n3-c2ccccc2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 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?
The InChIKey is NZRKDSXLUNHAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C81H49N9.2C75H46N8.C69H43N7/c1-82-77-78(87-67-34-18-14-30-59(67)60-31-15-19-35-68(60)87)63(55-40-44-71-75(48-55)89-73-46-53(51-22-6-2-7-23-51)38-42-65(73)83-80(89)85(71)57-26-10-4-11-27-57)50-64(79(77)88-69-36-20-16-32-61(69)62-33-17-21-37-70(62)88)56-41-45-72-76(49-56)90-74-47-54(52-24-8-3-9-25-52)39-43-66(74)84-81(90)86(72)58-28-12-5-13-29-58;1-82-79-77(55-40-44-69-73(48-55)89-71-46-53(51-22-6-2-7-23-51)38-42-63(71)83-80(89)85(69)57-26-10-4-11-27-57)75(87-65-34-18-14-30-59(65)60-31-15-19-35-66(60)87)50-76(88-67-36-20-16-32-61(67)62-33-17-21-37-68(62)88)78(79)56-41-45-70-74(49-56)90-72-47-54(52-24-8-3-9-25-52)39-43-64(72)84-81(90)86(70)58-28-12-5-13-29-58;76-47-61-72(50-24-10-3-11-25-50)59(53-36-40-66-70(44-53)82-68-42-51(48-20-6-1-7-21-48)34-38-62(68)77-74(82)79(66)55-26-12-4-13-27-55)46-60(73(61)81-64-32-18-16-30-57(64)58-31-17-19-33-65(58)81)54-37-41-67-71(45-54)83-69-43-52(49-22-8-2-9-23-49)35-39-63(69)78-75(83)80(67)56-28-14-5-15-29-56;76-47-60-72(53-36-40-65-69(44-53)82-67-42-51(48-20-6-1-7-21-48)34-38-61(67)77-74(82)79(65)55-26-12-4-13-27-55)59(50-24-10-3-11-25-50)46-71(81-63-32-18-16-30-57(63)58-31-17-19-33-64(58)81)73(60)54-37-41-66-70(45-54)83-68-43-52(49-22-8-2-9-23-49)35-39-62(68)78-75(83)80(66)56-28-14-5-15-29-56;70-44-57-66(47-23-11-3-12-24-47)55(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)43-56(67(57)48-25-13-4-14-26-48)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*2-50H;2*1-46H;1-43H.
What are the key properties of 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?
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 has a molecular weight of 5385.34 g/mol, XLogP of 95.19, 40 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159931387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).