5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile

C216H120N20O2S2 — CID 159853303

About 5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile

5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile (PubChem CID 159853303) has the molecular formula C216H120N20O2S2 and a molecular weight of 3091.61 g/mol. Its IUPAC name is 5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile.

Molecular Properties

• Compound Name: 5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile
• PubChem CID: 159853303
• Molecular Formula: C216H120N20O2S2
• Molecular Weight: 3091.61 g/mol
• Exact Mass: 3088.93
• IUPAC Name: 5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile
• SMILES: [C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4sc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4c(ccc32)oc2ccccc24)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4c(ccc32)sc2ccccc24)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21
• InChI: InChI=1S/C54H29N5O.C54H31N5O.C54H29N5S.C54H31N5S/c1-56-42-30-49(33(31-55)28-50(42)59-45-20-10-6-17-40(45)52-35-13-3-2-12-32(35)22-25-47(52)59)58-46-26-23-34(57-43-18-8-4-14-36(43)37-15-5-9-19-44(37)57)29-41(46)53-48(58)27-24-39-38-16-7-11-21-51(38)60-54(39)53;1-56-43-32-48(35(33-55)30-49(43)59-44-22-12-10-20-40(44)52-39-19-9-8-14-34(39)24-26-46(52)59)58-45-27-25-38(57(36-15-4-2-5-16-36)37-17-6-3-7-18-37)31-42(45)53-47(58)28-29-51-54(53)41-21-11-13-23-50(41)60-51;1-56-42-30-49(33(31-55)28-50(42)59-45-20-10-6-17-40(45)52-35-13-3-2-12-32(35)22-25-47(52)59)58-46-26-23-34(57-43-18-8-4-14-36(43)37-15-5-9-19-44(37)57)29-41(46)53-48(58)27-24-39-38-16-7-11-21-51(38)60-54(39)53;1-56-43-32-48(35(33-55)30-49(43)59-44-22-12-10-20-40(44)52-39-19-9-8-14-34(39)24-26-46(52)59)58-45-27-25-38(57(36-15-4-2-5-16-36)37-17-6-3-7-18-37)31-42(45)53-47(58)28-29-51-54(53)41-21-11-13-23-50(41)60-51/h2-30H;2-32H;2-30H;2-32H
• InChIKey: NQFFCVSDGTXTAM-UHFFFAOYSA-N
• XLogP: 59.49
• TPSA: 194.66 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3091.61
LogP ≤ 5	59.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile?

The IUPAC name of 5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile (CID 159853303) is 5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile.

What is the SMILES notation for 5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile?

The canonical SMILES for 5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile is [C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4sc5ccccc5c4ccc32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4c(ccc32)oc2ccccc24)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.[C-]#[N+]c1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4c(ccc32)sc2ccccc24)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.

What is the InChIKey of 5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile?

The InChIKey is NQFFCVSDGTXTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H29N5O.C54H31N5O.C54H29N5S.C54H31N5S/c1-56-42-30-49(33(31-55)28-50(42)59-45-20-10-6-17-40(45)52-35-13-3-2-12-32(35)22-25-47(52)59)58-46-26-23-34(57-43-18-8-4-14-36(43)37-15-5-9-19-44(37)57)29-41(46)53-48(58)27-24-39-38-16-7-11-21-51(38)60-54(39)53;1-56-43-32-48(35(33-55)30-49(43)59-44-22-12-10-20-40(44)52-39-19-9-8-14-34(39)24-26-46(52)59)58-45-27-25-38(57(36-15-4-2-5-16-36)37-17-6-3-7-18-37)31-42(45)53-47(58)28-29-51-54(53)41-21-11-13-23-50(41)60-51;1-56-42-30-49(33(31-55)28-50(42)59-45-20-10-6-17-40(45)52-35-13-3-2-12-32(35)22-25-47(52)59)58-46-26-23-34(57-43-18-8-4-14-36(43)37-15-5-9-19-44(37)57)29-41(46)53-48(58)27-24-39-38-16-7-11-21-51(38)60-54(39)53;1-56-43-32-48(35(33-55)30-49(43)59-44-22-12-10-20-40(44)52-39-19-9-8-14-34(39)24-26-46(52)59)58-45-27-25-38(57(36-15-4-2-5-16-36)37-17-6-3-7-18-37)31-42(45)53-47(58)28-29-51-54(53)41-21-11-13-23-50(41)60-51/h2-30H;2-32H;2-30H;2-32H.

What are the key properties of 5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile?

5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile has a molecular weight of 3091.61 g/mol, XLogP of 59.49, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-2-(2-carbazol-9-yl-[1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile;5-benzo[c]carbazol-7-yl-4-isocyano-2-[18-(N-phenylanilino)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl]benzonitrile is sourced from PubChem (CID 159853303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).