2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile

C400H216N56O4S4 — CID 162158216

IUPAC2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C#N)c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c(C#N)c(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C#N)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(C#N)c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c(C#N)c(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(C#N)c(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)c(C#N)c(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c2)c1
InChIInChI=1S/2C54H30N12.2C50H26N4O2.2C50H26N4S2.2C46H26N8/c1-56-39-8-2-7-33(25-39)38-30-49(65-45-13-9-34(51-57-17-3-18-58-51)26-40(45)41-27-35(10-14-46(41)65)52-59-19-4-20-60-52)44(32-55)50(31-38)66-47-15-11-36(53-61-21-5-22-62-53)28-42(47)43-29-37(12-16-48(43)66)54-63-23-6-24-64-54;1-56-39-8-2-7-33(25-39)38-30-49(65-45-26-34(51-57-17-3-18-58-51)9-13-40(45)41-14-10-35(27-46(41)65)52-59-19-4-20-60-52)44(32-55)50(31-38)66-47-28-36(53-61-21-5-22-62-53)11-15-42(47)43-16-12-37(29-48(43)66)54-63-23-6-24-64-54;51-27-29-10-9-11-30(24-29)31-25-41(53-39-16-5-1-12-32(39)34-20-22-45-47(49(34)53)36-14-3-7-18-43(36)55-45)38(28-52)42(26-31)54-40-17-6-2-13-33(40)35-21-23-46-48(50(35)54)37-15-4-8-19-44(37)56-46;51-27-29-10-9-11-30(24-29)31-25-43(53-41-16-5-1-12-32(41)36-20-22-38-34-14-3-7-18-45(34)55-49(38)47(36)53)40(28-52)44(26-31)54-42-17-6-2-13-33(42)37-21-23-39-35-15-4-8-19-46(35)56-50(39)48(37)54;51-27-29-10-9-11-30(24-29)31-25-41(53-39-16-5-1-12-32(39)34-20-22-45-47(49(34)53)36-14-3-7-18-43(36)55-45)38(28-52)42(26-31)54-40-17-6-2-13-33(40)35-21-23-46-48(50(35)54)37-15-4-8-19-44(37)56-46;51-27-29-10-9-11-30(24-29)31-25-43(53-41-16-5-1-12-32(41)36-20-22-38-34-14-3-7-18-45(34)55-49(38)47(36)53)40(28-52)44(26-31)54-42-17-6-2-13-33(42)37-21-23-39-35-15-4-8-19-46(35)56-50(39)48(37)54;1-48-33-10-6-9-29(23-33)32-26-43(53-39-13-4-2-11-34(39)36-24-30(15-17-41(36)53)45-49-19-7-20-50-45)38(28-47)44(27-32)54-40-14-5-3-12-35(40)37-25-31(16-18-42(37)54)46-51-21-8-22-52-46;1-48-33-10-6-9-29(23-33)32-26-43(53-39-13-4-2-11-34(39)36-17-15-30(24-41(36)53)45-49-19-7-20-50-45)38(28-47)44(27-32)54-40-14-5-3-12-35(40)37-18-16-31(25-42(37)54)46-51-21-8-22-52-46/h2*2-31H;4*1-26H;2*2-27H
InChIKeyZMCOWOUGABFYGP-UHFFFAOYSA-N
MW5998.78 g/mol
LogP99.60
Rot. Bonds36

About 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile

2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile (PubChem CID 162158216) has the molecular formula C400H216N56O4S4 and a molecular weight of 5998.78 g/mol. Its IUPAC name is 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
PubChem CID162158216
Molecular FormulaC400H216N56O4S4
Molecular Weight5998.78 g/mol
Exact Mass5993.73
IUPAC Name2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C#N)c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c(C#N)c(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C#N)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(C#N)c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c(C#N)c(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(C#N)c(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)c(C#N)c(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c2)c1
InChIInChI=1S/2C54H30N12.2C50H26N4O2.2C50H26N4S2.2C46H26N8/c1-56-39-8-2-7-33(25-39)38-30-49(65-45-13-9-34(51-57-17-3-18-58-51)26-40(45)41-27-35(10-14-46(41)65)52-59-19-4-20-60-52)44(32-55)50(31-38)66-47-15-11-36(53-61-21-5-22-62-53)28-42(47)43-29-37(12-16-48(43)66)54-63-23-6-24-64-54;1-56-39-8-2-7-33(25-39)38-30-49(65-45-26-34(51-57-17-3-18-58-51)9-13-40(45)41-14-10-35(27-46(41)65)52-59-19-4-20-60-52)44(32-55)50(31-38)66-47-28-36(53-61-21-5-22-62-53)11-15-42(47)43-16-12-37(29-48(43)66)54-63-23-6-24-64-54;51-27-29-10-9-11-30(24-29)31-25-41(53-39-16-5-1-12-32(39)34-20-22-45-47(49(34)53)36-14-3-7-18-43(36)55-45)38(28-52)42(26-31)54-40-17-6-2-13-33(40)35-21-23-46-48(50(35)54)37-15-4-8-19-44(37)56-46;51-27-29-10-9-11-30(24-29)31-25-43(53-41-16-5-1-12-32(41)36-20-22-38-34-14-3-7-18-45(34)55-49(38)47(36)53)40(28-52)44(26-31)54-42-17-6-2-13-33(42)37-21-23-39-35-15-4-8-19-46(35)56-50(39)48(37)54;51-27-29-10-9-11-30(24-29)31-25-41(53-39-16-5-1-12-32(39)34-20-22-45-47(49(34)53)36-14-3-7-18-43(36)55-45)38(28-52)42(26-31)54-40-17-6-2-13-33(40)35-21-23-46-48(50(35)54)37-15-4-8-19-44(37)56-46;51-27-29-10-9-11-30(24-29)31-25-43(53-41-16-5-1-12-32(41)36-20-22-38-34-14-3-7-18-45(34)55-49(38)47(36)53)40(28-52)44(26-31)54-42-17-6-2-13-33(42)37-21-23-39-35-15-4-8-19-46(35)56-50(39)48(37)54;1-48-33-10-6-9-29(23-33)32-26-43(53-39-13-4-2-11-34(39)36-24-30(15-17-41(36)53)45-49-19-7-20-50-45)38(28-47)44(27-32)54-40-14-5-3-12-35(40)37-25-31(16-18-42(37)54)46-51-21-8-22-52-46;1-48-33-10-6-9-29(23-33)32-26-43(53-39-13-4-2-11-34(39)36-17-15-30(24-41(36)53)45-49-19-7-20-50-45)38(28-47)44(27-32)54-40-14-5-3-12-35(40)37-18-16-31(25-42(37)54)46-51-21-8-22-52-46/h2*2-31H;4*1-26H;2*2-27H
InChIKeyZMCOWOUGABFYGP-UHFFFAOYSA-N
XLogP99.60
TPSA743.72 Ų
H-Bond Donors
H-Bond Acceptors60
Rotatable Bonds36
Heavy Atoms464
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005998.78
LogP ≤ 599.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1060

Analyze 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)benzonitrile
CID 159706301
12-[3-[4-(3-isocyanophenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;3-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinolin-4-yl]benzonitrile
CID 160716800
9-(3-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 158810751
3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)-3-(3-isocyanophenyl)phenyl]benzonitrile;3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)-3-(3-isocyanophenyl)phenyl]benzonitrile;3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)-3-(3-isocyanophenyl)phenyl]benzonitrile
CID 159731201
2-[2-(3-cyanophenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-6-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140846724
4-(3-cyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 146238092
9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 158836336
2,4-di(carbazol-9-yl)-5-isocyano-6-(3-methyl-[1]benzothiolo[2,3-a]carbazol-12-yl)-3-(3-phenyl-[1]benzofuro[2,3-a]carbazol-12-yl)benzonitrile
CID 156680053
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole;3-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]benzonitrile
CID 158227844
3-(3-isocyanocarbazol-9-yl)-5-[3-(9-oxa-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,18,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;3-(3-isocyanocarbazol-9-yl)-5-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile;9-[3-isocyano-5-[3-(14-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-phenyl-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[3-isocyano-5-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 158382825
5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-15-yl)-3-isocyano-4,6-diphenylbenzonitrile
CID 172519626
3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[3-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[3-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 165033912

Frequently Asked Questions

What is the IUPAC name of 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The IUPAC name of 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile (CID 162158216) is 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c(C#N)c(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c(C#N)c(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c(C#N)c(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)c1.N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c(C#N)c(-n3c4ccccc4c4ccc5sc6ccccc6c5c43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c(C#N)c(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(C#N)c(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)c(C#N)c(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5ncccn5)cc43)c2)c1.
What is the InChIKey of 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The InChIKey is ZMCOWOUGABFYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H30N12.2C50H26N4O2.2C50H26N4S2.2C46H26N8/c1-56-39-8-2-7-33(25-39)38-30-49(65-45-13-9-34(51-57-17-3-18-58-51)26-40(45)41-27-35(10-14-46(41)65)52-59-19-4-20-60-52)44(32-55)50(31-38)66-47-15-11-36(53-61-21-5-22-62-53)28-42(47)43-29-37(12-16-48(43)66)54-63-23-6-24-64-54;1-56-39-8-2-7-33(25-39)38-30-49(65-45-26-34(51-57-17-3-18-58-51)9-13-40(45)41-14-10-35(27-46(41)65)52-59-19-4-20-60-52)44(32-55)50(31-38)66-47-28-36(53-61-21-5-22-62-53)11-15-42(47)43-16-12-37(29-48(43)66)54-63-23-6-24-64-54;51-27-29-10-9-11-30(24-29)31-25-41(53-39-16-5-1-12-32(39)34-20-22-45-47(49(34)53)36-14-3-7-18-43(36)55-45)38(28-52)42(26-31)54-40-17-6-2-13-33(40)35-21-23-46-48(50(35)54)37-15-4-8-19-44(37)56-46;51-27-29-10-9-11-30(24-29)31-25-43(53-41-16-5-1-12-32(41)36-20-22-38-34-14-3-7-18-45(34)55-49(38)47(36)53)40(28-52)44(26-31)54-42-17-6-2-13-33(42)37-21-23-39-35-15-4-8-19-46(35)56-50(39)48(37)54;51-27-29-10-9-11-30(24-29)31-25-41(53-39-16-5-1-12-32(39)34-20-22-45-47(49(34)53)36-14-3-7-18-43(36)55-45)38(28-52)42(26-31)54-40-17-6-2-13-33(40)35-21-23-46-48(50(35)54)37-15-4-8-19-44(37)56-46;51-27-29-10-9-11-30(24-29)31-25-43(53-41-16-5-1-12-32(41)36-20-22-38-34-14-3-7-18-45(34)55-49(38)47(36)53)40(28-52)44(26-31)54-42-17-6-2-13-33(42)37-21-23-39-35-15-4-8-19-46(35)56-50(39)48(37)54;1-48-33-10-6-9-29(23-33)32-26-43(53-39-13-4-2-11-34(39)36-24-30(15-17-41(36)53)45-49-19-7-20-50-45)38(28-47)44(27-32)54-40-14-5-3-12-35(40)37-25-31(16-18-42(37)54)46-51-21-8-22-52-46;1-48-33-10-6-9-29(23-33)32-26-43(53-39-13-4-2-11-34(39)36-17-15-30(24-41(36)53)45-49-19-7-20-50-45)38(28-47)44(27-32)54-40-14-5-3-12-35(40)37-18-16-31(25-42(37)54)46-51-21-8-22-52-46/h2*2-31H;4*1-26H;2*2-27H.
What are the key properties of 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile has a molecular weight of 5998.78 g/mol, XLogP of 99.60, 36 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(3-cyanophenyl)benzonitrile;2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;2,6-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(3-isocyanophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 162158216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).