4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile

C414H266N34 — CID 165033348

IUPAC4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-c2ccccc2)c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2)c(C#N)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c(-c2ccccc2)c(C#N)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccccc2)c(C#N)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(C#N)c1-c1ccc2c3ccccc3c3ccccc3c2c1.N#Cc1c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(C#N)c1-c1cccc(-c2ccccc2)c1.N#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1-c1ccccc1
InChIInChI=1S/C74H42N6.C68H40N6.C62H37N5.C60H58N4.C56H33N5.C56H34N4.C38H22N4/c75-43-60-68(79-64-33-17-13-29-57(64)71-66(79)39-37-55-53-27-11-15-31-62(53)77(73(55)71)46-19-3-1-4-20-46)42-69(61(44-76)70(60)45-35-36-52-50-25-8-7-23-48(50)49-24-9-10-26-51(49)59(52)41-45)80-65-34-18-14-30-58(65)72-67(80)40-38-56-54-28-12-16-32-63(54)78(74(56)72)47-21-5-2-6-22-47;69-41-54-62(73-58-33-16-12-29-52(58)65-60(73)37-35-50-48-27-10-14-31-56(48)71(67(50)65)46-23-6-2-7-24-46)40-63(55(42-70)64(54)45-22-18-21-44(39-45)43-19-4-1-5-20-43)74-59-34-17-13-30-53(59)66-61(74)38-36-51-49-28-11-15-32-57(49)72(68(51)66)47-25-8-3-9-26-47;63-38-51-59(40-18-4-1-5-19-40)62(60(41-20-6-2-7-21-41)52(39-64)61(51)66-54-29-15-10-24-45(54)46-25-11-16-30-55(46)66)67-56-31-17-13-27-48(56)50-37-43(33-35-58(50)67)42-32-34-57-49(36-42)47-26-12-14-28-53(47)65(57)44-22-8-3-9-23-44;1-57(2,3)39-23-27-49-43(31-39)44-32-40(58(4,5)6)24-28-50(44)63(49)55-47(35-61)53(37-19-15-13-16-20-37)48(36-62)56(54(55)38-21-17-14-18-22-38)64-51-29-25-41(59(7,8)9)33-45(51)46-34-42(60(10,11)12)26-30-52(46)64;57-34-44-51(36-18-4-1-5-19-36)56(52(37-20-6-2-7-21-37)45(35-58)54(44)60-46-28-14-10-24-39(46)40-25-11-15-29-47(40)60)61-48-30-16-12-26-41(48)42-32-33-50-53(55(42)61)43-27-13-17-31-49(43)59(50)38-22-8-3-9-23-38;57-35-47-53(39-21-9-3-10-22-39)56(54(40-23-11-4-12-24-40)48(36-58)55(47)59-49-27-15-13-25-43(49)44-26-14-16-28-50(44)59)60-51-31-29-41(37-17-5-1-6-18-37)33-45(51)46-34-42(30-32-52(46)60)38-19-7-2-8-20-38;39-23-30-36(41-32-18-8-4-14-26(32)27-15-5-9-19-33(27)41)22-37(31(24-40)38(30)25-12-2-1-3-13-25)42-34-20-10-6-16-28(34)29-17-7-11-21-35(29)42/h1-42H;1-40H;1-37H;13-34H,1-12H3;1-33H;1-34H;1-22H
InChIKeyMZTPGGOPAQBHBY-UHFFFAOYSA-N
MW5716.92 g/mol
LogP105.61
Rot. Bonds35

About 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile

4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile (PubChem CID 165033348) has the molecular formula C414H266N34 and a molecular weight of 5716.92 g/mol. Its IUPAC name is 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile
PubChem CID165033348
Molecular FormulaC414H266N34
Molecular Weight5716.92 g/mol
Exact Mass5712.19
IUPAC Name4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-c2ccccc2)c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2)c(C#N)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c(-c2ccccc2)c(C#N)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccccc2)c(C#N)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(C#N)c1-c1ccc2c3ccccc3c3ccccc3c2c1.N#Cc1c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(C#N)c1-c1cccc(-c2ccccc2)c1.N#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1-c1ccccc1
InChIInChI=1S/C74H42N6.C68H40N6.C62H37N5.C60H58N4.C56H33N5.C56H34N4.C38H22N4/c75-43-60-68(79-64-33-17-13-29-57(64)71-66(79)39-37-55-53-27-11-15-31-62(53)77(73(55)71)46-19-3-1-4-20-46)42-69(61(44-76)70(60)45-35-36-52-50-25-8-7-23-48(50)49-24-9-10-26-51(49)59(52)41-45)80-65-34-18-14-30-58(65)72-67(80)40-38-56-54-28-12-16-32-63(54)78(74(56)72)47-21-5-2-6-22-47;69-41-54-62(73-58-33-16-12-29-52(58)65-60(73)37-35-50-48-27-10-14-31-56(48)71(67(50)65)46-23-6-2-7-24-46)40-63(55(42-70)64(54)45-22-18-21-44(39-45)43-19-4-1-5-20-43)74-59-34-17-13-30-53(59)66-61(74)38-36-51-49-28-11-15-32-57(49)72(68(51)66)47-25-8-3-9-26-47;63-38-51-59(40-18-4-1-5-19-40)62(60(41-20-6-2-7-21-41)52(39-64)61(51)66-54-29-15-10-24-45(54)46-25-11-16-30-55(46)66)67-56-31-17-13-27-48(56)50-37-43(33-35-58(50)67)42-32-34-57-49(36-42)47-26-12-14-28-53(47)65(57)44-22-8-3-9-23-44;1-57(2,3)39-23-27-49-43(31-39)44-32-40(58(4,5)6)24-28-50(44)63(49)55-47(35-61)53(37-19-15-13-16-20-37)48(36-62)56(54(55)38-21-17-14-18-22-38)64-51-29-25-41(59(7,8)9)33-45(51)46-34-42(60(10,11)12)26-30-52(46)64;57-34-44-51(36-18-4-1-5-19-36)56(52(37-20-6-2-7-21-37)45(35-58)54(44)60-46-28-14-10-24-39(46)40-25-11-15-29-47(40)60)61-48-30-16-12-26-41(48)42-32-33-50-53(55(42)61)43-27-13-17-31-49(43)59(50)38-22-8-3-9-23-38;57-35-47-53(39-21-9-3-10-22-39)56(54(40-23-11-4-12-24-40)48(36-58)55(47)59-49-27-15-13-25-43(49)44-26-14-16-28-50(44)59)60-51-31-29-41(37-17-5-1-6-18-37)33-45(51)46-34-42(30-32-52(46)60)38-19-7-2-8-20-38;39-23-30-36(41-32-18-8-4-14-26(32)27-15-5-9-19-33(27)41)22-37(31(24-40)38(30)25-12-2-1-3-13-25)42-34-20-10-6-16-28(34)29-17-7-11-21-35(29)42/h1-42H;1-40H;1-37H;13-34H,1-12H3;1-33H;1-34H;1-22H
InChIKeyMZTPGGOPAQBHBY-UHFFFAOYSA-N
XLogP105.61
TPSA431.66 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds35
Heavy Atoms448
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005716.92
LogP ≤ 5105.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile with MolForge

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Related Compounds

5-(4-tert-butylphenyl)-4,6-di(carbazol-9-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 146562377
2-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-4-(3-phenylphenyl)benzonitrile
CID 170051066
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
5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 167259633
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137368903
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 168845283
4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile
CID 139559752
4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170050981
2,6-di(carbazol-9-yl)-3,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-phenylbenzonitrile
CID 137369191
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
2-(3,6-ditert-butylcarbazol-9-yl)-6-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;3-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)-4-phenylbenzonitrile
CID 157426749
2,9-ditert-butyl-5-phenyl-12-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 160739402

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile (CID 165033348) is 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-c2ccccc2)c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2)c(C#N)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c(-c2ccccc2)c(C#N)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccccc2)c(C#N)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(C#N)c1-c1ccc2c3ccccc3c3ccccc3c2c1.N#Cc1c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(C#N)c1-c1cccc(-c2ccccc2)c1.N#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1-c1ccccc1.
What is the InChIKey of 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile?
The InChIKey is MZTPGGOPAQBHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H42N6.C68H40N6.C62H37N5.C60H58N4.C56H33N5.C56H34N4.C38H22N4/c75-43-60-68(79-64-33-17-13-29-57(64)71-66(79)39-37-55-53-27-11-15-31-62(53)77(73(55)71)46-19-3-1-4-20-46)42-69(61(44-76)70(60)45-35-36-52-50-25-8-7-23-48(50)49-24-9-10-26-51(49)59(52)41-45)80-65-34-18-14-30-58(65)72-67(80)40-38-56-54-28-12-16-32-63(54)78(74(56)72)47-21-5-2-6-22-47;69-41-54-62(73-58-33-16-12-29-52(58)65-60(73)37-35-50-48-27-10-14-31-56(48)71(67(50)65)46-23-6-2-7-24-46)40-63(55(42-70)64(54)45-22-18-21-44(39-45)43-19-4-1-5-20-43)74-59-34-17-13-30-53(59)66-61(74)38-36-51-49-28-11-15-32-57(49)72(68(51)66)47-25-8-3-9-26-47;63-38-51-59(40-18-4-1-5-19-40)62(60(41-20-6-2-7-21-41)52(39-64)61(51)66-54-29-15-10-24-45(54)46-25-11-16-30-55(46)66)67-56-31-17-13-27-48(56)50-37-43(33-35-58(50)67)42-32-34-57-49(36-42)47-26-12-14-28-53(47)65(57)44-22-8-3-9-23-44;1-57(2,3)39-23-27-49-43(31-39)44-32-40(58(4,5)6)24-28-50(44)63(49)55-47(35-61)53(37-19-15-13-16-20-37)48(36-62)56(54(55)38-21-17-14-18-22-38)64-51-29-25-41(59(7,8)9)33-45(51)46-34-42(60(10,11)12)26-30-52(46)64;57-34-44-51(36-18-4-1-5-19-36)56(52(37-20-6-2-7-21-37)45(35-58)54(44)60-46-28-14-10-24-39(46)40-25-11-15-29-47(40)60)61-48-30-16-12-26-41(48)42-32-33-50-53(55(42)61)43-27-13-17-31-49(43)59(50)38-22-8-3-9-23-38;57-35-47-53(39-21-9-3-10-22-39)56(54(40-23-11-4-12-24-40)48(36-58)55(47)59-49-27-15-13-25-43(49)44-26-14-16-28-50(44)59)60-51-31-29-41(37-17-5-1-6-18-37)33-45(51)46-34-42(30-32-52(46)60)38-19-7-2-8-20-38;39-23-30-36(41-32-18-8-4-14-26(32)27-15-5-9-19-33(27)41)22-37(31(24-40)38(30)25-12-2-1-3-13-25)42-34-20-10-6-16-28(34)29-17-7-11-21-35(29)42/h1-42H;1-40H;1-37H;13-34H,1-12H3;1-33H;1-34H;1-22H.
What are the key properties of 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile?
4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile has a molecular weight of 5716.92 g/mol, XLogP of 105.61, 35 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3,6-ditert-butylcarbazol-9-yl)-2,5-diphenylbenzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-(3-phenylphenyl)benzene-1,3-dicarbonitrile;4,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)-2-triphenylen-2-ylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile;2-carbazol-9-yl-4,6-diphenyl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile;4,6-di(carbazol-9-yl)-2-phenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 165033348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).