2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile

C198H106N14O8 — CID 161060600

About 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile

2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile (PubChem CID 161060600) has the molecular formula C198H106N14O8 and a molecular weight of 2809.12 g/mol. Its IUPAC name is 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile.

Molecular Properties

• Compound Name: 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile
• PubChem CID: 161060600
• Molecular Formula: C198H106N14O8
• Molecular Weight: 2809.12 g/mol
• Exact Mass: 2806.83
• IUPAC Name: 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile
• SMILES: N#Cc1cccc(-c2ccccc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.[C-]#[N+]c1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1.[C-]#[N+]c1ccc(-c2ccccc2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.[C-]#[N+]c1cccc(-c2cccc(C#N)c2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21
• InChI: InChI=1S/2C50H26N4O2.2C49H27N3O2/c1-52-38-19-11-18-33(48(38)53-40-21-7-3-15-36(40)45-41(53)26-24-35-31-14-4-8-22-42(31)56-50(35)45)32-17-10-12-29(28-51)47(32)54-39-20-6-2-13-30(39)34-25-27-44-46(49(34)54)37-16-5-9-23-43(37)55-44;1-52-30-21-22-33(43(23-30)53-41-17-6-2-13-32(41)38-26-48-40(25-44(38)53)35-15-5-9-20-47(35)55-48)36-16-10-11-29(28-51)50(36)54-42-18-7-3-12-31(42)37-24-39-34-14-4-8-19-46(34)56-49(39)27-45(37)54;1-50-29-22-23-33(43(26-29)52-42-19-9-3-13-31(42)36-24-25-37-34-15-5-11-21-46(34)54-49(37)48(36)52)30-12-2-7-17-40(30)51-41-18-8-4-14-32(41)38-28-47-39(27-44(38)51)35-16-6-10-20-45(35)53-47;50-28-29-12-11-18-34(46(29)52-41-21-8-3-15-32(41)36-24-25-37-33-16-4-9-22-42(33)54-49(37)48(36)52)30-13-1-6-19-39(30)51-40-20-7-2-14-31(40)35-26-27-44-45(47(35)51)38-17-5-10-23-43(38)53-44/h2*2-27H;2-28H;1-27H
• InChIKey: UDINKPULMXSAIK-UHFFFAOYSA-N
• XLogP: 54.65
• TPSA: 229.01 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2809.12
LogP ≤ 5	54.65
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-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile?

The IUPAC name of 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile (CID 161060600) is 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile.

What is the SMILES notation for 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile?

The canonical SMILES for 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile is N#Cc1cccc(-c2ccccc2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.[C-]#[N+]c1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1.[C-]#[N+]c1ccc(-c2ccccc2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.[C-]#[N+]c1cccc(-c2cccc(C#N)c2-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.

What is the InChIKey of 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile?

The InChIKey is UDINKPULMXSAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H26N4O2.2C49H27N3O2/c1-52-38-19-11-18-33(48(38)53-40-21-7-3-15-36(40)45-41(53)26-24-35-31-14-4-8-22-42(31)56-50(35)45)32-17-10-12-29(28-51)47(32)54-39-20-6-2-13-30(39)34-25-27-44-46(49(34)54)37-16-5-9-23-43(37)55-44;1-52-30-21-22-33(43(23-30)53-41-17-6-2-13-32(41)38-26-48-40(25-44(38)53)35-15-5-9-20-47(35)55-48)36-16-10-11-29(28-51)50(36)54-42-18-7-3-12-31(42)37-24-39-34-14-4-8-19-46(34)56-49(39)27-45(37)54;1-50-29-22-23-33(43(26-29)52-42-19-9-3-13-31(42)36-24-25-37-34-15-5-11-21-46(34)54-49(37)48(36)52)30-12-2-7-17-40(30)51-41-18-8-4-14-32(41)38-28-47-39(27-44(38)51)35-16-6-10-20-45(35)53-47;50-28-29-12-11-18-34(46(29)52-41-21-8-3-15-32(41)36-24-25-37-33-16-4-9-22-42(33)54-49(37)48(36)52)30-13-1-6-19-39(30)51-40-20-7-2-14-31(40)35-26-27-44-45(47(35)51)38-17-5-10-23-43(38)53-44/h2*2-27H;2-28H;1-27H.

What are the key properties of 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile?

2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile has a molecular weight of 2809.12 g/mol, XLogP of 54.65, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]benzonitrile;11-[2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-isocyanophenyl]benzonitrile is sourced from PubChem (CID 161060600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).