2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

C236H144N20S — CID 163525867

About 2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (PubChem CID 163525867) has the molecular formula C236H144N20S and a molecular weight of 3291.95 g/mol. Its IUPAC name is 2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

• Compound Name: 2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
• PubChem CID: 163525867
• Molecular Formula: C236H144N20S
• Molecular Weight: 3291.95 g/mol
• Exact Mass: 3289.16
• IUPAC Name: 2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1C#N.N#Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)ccc1-c1ccccc1-n1c2ccccc2c2ccccc21.N#Cc1cc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)ccc1-c1c(C#N)cccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(C#N)cc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c43)C(C)(C)c3ccccc3-5)cc2C#N)c(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C50H29N5.C49H30N4.C47H30N4.C46H31N3.C44H24N4S/c1-52-42-30-32(31-51)29-41(49(42)55-44-20-10-5-15-36(44)37-16-6-11-21-45(37)55)33-23-25-35(26-24-33)54-43-19-9-7-17-38(43)39-27-28-47-48(50(39)54)40-18-8-12-22-46(40)53(47)34-13-3-2-4-14-34;50-31-32-30-34(26-27-35(32)36-16-4-10-22-43(36)53-44-23-11-5-17-37(44)38-18-6-12-24-45(38)53)51-46-25-13-8-20-41(46)48-47(51)29-28-40-39-19-7-9-21-42(39)52(49(40)48)33-14-2-1-3-15-33;1-47(2)40-16-8-4-12-33(40)38-24-25-39-36-15-7-9-17-41(36)50(46(39)45(38)47)31-21-23-32(29(26-31)28-48)37-22-20-30(49-3)27-44(37)51-42-18-10-5-13-34(42)35-14-6-11-19-43(35)51;1-46(2)36-18-8-3-16-34(36)44-37(46)24-26-43-45(44)35-17-7-12-22-42(35)48(43)38-25-23-29(27-30(38)28-47)31-13-4-9-19-39(31)49-40-20-10-5-14-32(40)33-15-6-11-21-41(33)49;45-25-27-10-9-18-40(48-38-16-6-1-11-31(38)32-12-2-7-17-39(32)48)44(27)30-21-20-29(22-28(30)26-46)47-37-15-5-3-13-33(37)35-23-36-34-14-4-8-19-42(34)49-43(36)24-41(35)47/h2-30H;1-30H;4-27H,1-2H3;3-27H,1-2H3;1-24H
• InChIKey: DORSKFSLMLMJPI-UHFFFAOYSA-N
• XLogP: 61.25
• TPSA: 210.62 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3291.95
LogP ≤ 5	61.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?

The IUPAC name of 2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (CID 163525867) is 2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.

What is the SMILES notation for 2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?

The canonical SMILES for 2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1C#N.N#Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)ccc1-c1ccccc1-n1c2ccccc2c2ccccc21.N#Cc1cc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)ccc1-c1c(C#N)cccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(C#N)cc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)cc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c43)C(C)(C)c3ccccc3-5)cc2C#N)c(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?

The InChIKey is DORSKFSLMLMJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5.C49H30N4.C47H30N4.C46H31N3.C44H24N4S/c1-52-42-30-32(31-51)29-41(49(42)55-44-20-10-5-15-36(44)37-16-6-11-21-45(37)55)33-23-25-35(26-24-33)54-43-19-9-7-17-38(43)39-27-28-47-48(50(39)54)40-18-8-12-22-46(40)53(47)34-13-3-2-4-14-34;50-31-32-30-34(26-27-35(32)36-16-4-10-22-43(36)53-44-23-11-5-17-37(44)38-18-6-12-24-45(38)53)51-46-25-13-8-20-41(46)48-47(51)29-28-40-39-19-7-9-21-42(39)52(49(40)48)33-14-2-1-3-15-33;1-47(2)40-16-8-4-12-33(40)38-24-25-39-36-15-7-9-17-41(36)50(46(39)45(38)47)31-21-23-32(29(26-31)28-48)37-22-20-30(49-3)27-44(37)51-42-18-10-5-13-34(42)35-14-6-11-19-43(35)51;1-46(2)36-18-8-3-16-34(36)44-37(46)24-26-43-45(44)35-17-7-12-22-42(35)48(43)38-25-23-29(27-30(38)28-47)31-13-4-9-19-39(31)49-40-20-10-5-14-32(40)33-15-6-11-21-41(33)49;45-25-27-10-9-18-40(48-38-16-6-1-11-31(38)32-12-2-7-17-39(32)48)44(27)30-21-20-29(22-28(30)26-46)47-37-15-5-3-13-33(37)35-23-36-34-14-4-8-19-42(34)49-43(36)24-41(35)47/h2-30H;1-30H;4-27H,1-2H3;3-27H,1-2H3;1-24H.

What are the key properties of 2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?

2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 3291.95 g/mol, XLogP of 61.25, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 163525867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).