2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile

C123H66N18O3 — CID 163629903

About 2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile

2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile (PubChem CID 163629903) has the molecular formula C123H66N18O3 and a molecular weight of 1844.00 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile.

Molecular Properties

• Compound Name: 2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
• PubChem CID: 163629903
• Molecular Formula: C123H66N18O3
• Molecular Weight: 1844.00 g/mol
• Exact Mass: 1842.56
• IUPAC Name: 2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
• SMILES: [C-]#[N+]c1cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/3C41H22N6O/c1-43-32-23-35(47-33-18-10-8-17-30(33)37-34(47)21-20-29-28-16-9-11-19-36(28)48-38(29)37)27(24-42)22-31(32)41-45-39(25-12-4-2-5-13-25)44-40(46-41)26-14-6-3-7-15-26;1-43-33-23-35(47-34-18-10-8-16-28(34)30-22-38-31(21-36(30)47)29-17-9-11-19-37(29)48-38)27(24-42)20-32(33)41-45-39(25-12-4-2-5-13-25)44-40(46-41)26-14-6-3-7-15-26;1-43-31-23-34(47-32-18-10-8-16-28(32)37-33(47)20-21-36-38(37)29-17-9-11-19-35(29)48-36)27(24-42)22-30(31)41-45-39(25-12-4-2-5-13-25)44-40(46-41)26-14-6-3-7-15-26/h3*2-23H
• InChIKey: HVEKZENBEIBMFE-UHFFFAOYSA-N
• XLogP: 30.87
• TPSA: 254.67 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.00
LogP ≤ 5	30.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile?

The IUPAC name of 2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile (CID 163629903) is 2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile.

What is the SMILES notation for 2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile?

The canonical SMILES for 2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile is [C-]#[N+]c1cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile?

The InChIKey is HVEKZENBEIBMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C41H22N6O/c1-43-32-23-35(47-33-18-10-8-17-30(33)37-34(47)21-20-29-28-16-9-11-19-36(28)48-38(29)37)27(24-42)22-31(32)41-45-39(25-12-4-2-5-13-25)44-40(46-41)26-14-6-3-7-15-26;1-43-33-23-35(47-34-18-10-8-16-28(34)30-22-38-31(21-36(30)47)29-17-9-11-19-37(29)48-38)27(24-42)20-32(33)41-45-39(25-12-4-2-5-13-25)44-40(46-41)26-14-6-3-7-15-26;1-43-31-23-34(47-32-18-10-8-16-28(32)37-33(47)20-21-36-38(37)29-17-9-11-19-35(29)48-36)27(24-42)22-30(31)41-45-39(25-12-4-2-5-13-25)44-40(46-41)26-14-6-3-7-15-26/h3*2-23H.

What are the key properties of 2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile?

2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile has a molecular weight of 1844.00 g/mol, XLogP of 30.87, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyanobenzonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile is sourced from PubChem (CID 163629903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).