3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile

C172H100N12O4 — CID 159603459

About 3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile

3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile (PubChem CID 159603459) has the molecular formula C172H100N12O4 and a molecular weight of 2398.77 g/mol. Its IUPAC name is 3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile.

Molecular Properties

• Compound Name: 3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile
• PubChem CID: 159603459
• Molecular Formula: C172H100N12O4
• Molecular Weight: 2398.77 g/mol
• Exact Mass: 2396.80
• IUPAC Name: 3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile
• SMILES: N#Cc1ccc(-c2ccc3c(c2)c2ccc4c5ccccc5oc4c2n3-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c1.N#Cc1cccc(-c2ccc3c(c2)c2ccc4c5ccccc5oc4c2n3-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)c2ccc4c5ccccc5oc4c2n3-c2ccccc2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)c1ccc3c4ccccc4oc3c1n2-c1ccccc1
• InChI: InChI=1S/4C43H25N3O/c1-44-35-17-11-20-39(46-36-18-8-5-14-29(36)30-15-6-9-19-37(30)46)41(35)27-22-25-38-34(26-27)32-23-24-33-31-16-7-10-21-40(31)47-43(33)42(32)45(38)28-12-3-2-4-13-28;1-44-28-20-24-39(46-37-16-8-5-13-30(37)31-14-6-9-17-38(31)46)35(26-28)27-19-23-40-36(25-27)33-21-22-34-32-15-7-10-18-41(32)47-43(34)42(33)45(40)29-11-3-2-4-12-29;44-26-28-11-10-17-30(41(28)46-37-18-7-4-14-31(37)32-15-5-8-19-38(32)46)27-21-24-39-36(25-27)34-22-23-35-33-16-6-9-20-40(33)47-43(35)42(34)45(39)29-12-2-1-3-13-29;44-26-27-18-20-30(40(24-27)46-37-15-7-4-12-31(37)32-13-5-8-16-38(32)46)28-19-23-39-36(25-28)34-21-22-35-33-14-6-9-17-41(33)47-43(35)42(34)45(39)29-10-2-1-3-11-29/h2*2-26H;2*1-25H
• InChIKey: MLUAAMBCFUZGMG-UHFFFAOYSA-N
• XLogP: 46.63
• TPSA: 148.30 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2398.77
LogP ≤ 5	46.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile?

The IUPAC name of 3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile (CID 159603459) is 3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile.

What is the SMILES notation for 3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile?

The canonical SMILES for 3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile is N#Cc1ccc(-c2ccc3c(c2)c2ccc4c5ccccc5oc4c2n3-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c1.N#Cc1cccc(-c2ccc3c(c2)c2ccc4c5ccccc5oc4c2n3-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)c2ccc4c5ccccc5oc4c2n3-c2ccccc2)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)c1ccc3c4ccccc4oc3c1n2-c1ccccc1.

What is the InChIKey of 3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile?

The InChIKey is MLUAAMBCFUZGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C43H25N3O/c1-44-35-17-11-20-39(46-36-18-8-5-14-29(36)30-15-6-9-19-37(30)46)41(35)27-22-25-38-34(26-27)32-23-24-33-31-16-7-10-21-40(31)47-43(33)42(32)45(38)28-12-3-2-4-13-28;1-44-28-20-24-39(46-37-16-8-5-13-30(37)31-14-6-9-17-38(31)46)35(26-28)27-19-23-40-36(25-27)33-21-22-34-32-15-7-10-18-41(32)47-43(34)42(33)45(40)29-11-3-2-4-12-29;44-26-28-11-10-17-30(41(28)46-37-18-7-4-14-31(37)32-15-5-8-19-38(32)46)27-21-24-39-36(25-27)34-22-23-35-33-16-6-9-20-40(33)47-43(35)42(34)45(39)29-12-2-1-3-13-29;44-26-27-18-20-30(40(24-27)46-37-15-7-4-12-31(37)32-13-5-8-16-38(32)46)28-19-23-39-36(25-28)34-21-22-35-33-14-6-9-17-41(33)47-43(35)42(34)45(39)29-10-2-1-3-11-29/h2*2-26H;2*1-25H.

What are the key properties of 3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile?

3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile has a molecular weight of 2398.77 g/mol, XLogP of 46.63, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile is sourced from PubChem (CID 159603459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).