5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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

C258H150N18O6 — CID 165038768

About 5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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

5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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 165038768) has the molecular formula C258H150N18O6 and a molecular weight of 3598.16 g/mol. Its IUPAC name is 5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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: 5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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: 165038768
• Molecular Formula: C258H150N18O6
• Molecular Weight: 3598.16 g/mol
• Exact Mass: 3595.20
• IUPAC Name: 5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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: N#Cc1cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
• InChI: InChI=1S/6C43H25N3O/c44-26-28-25-30(46-39-15-7-3-12-36(39)42-40(46)24-23-35-34-11-4-8-16-41(34)47-43(35)42)21-22-31(28)27-17-19-29(20-18-27)45-37-13-5-1-9-32(37)33-10-2-6-14-38(33)45;44-26-28-23-30(46-40-15-7-3-11-34(40)36-25-43-37(24-41(36)46)35-12-4-8-16-42(35)47-43)21-22-31(28)27-17-19-29(20-18-27)45-38-13-5-1-9-32(38)33-10-2-6-14-39(33)45;44-26-28-23-30(46-40-15-7-3-11-34(40)36-24-37-35-12-4-8-16-42(35)47-43(37)25-41(36)46)21-22-31(28)27-17-19-29(20-18-27)45-38-13-5-1-9-32(38)33-10-2-6-14-39(33)45;44-26-28-25-30(46-39-15-7-3-11-34(39)35-23-24-41-42(43(35)46)36-12-4-8-16-40(36)47-41)21-22-31(28)27-17-19-29(20-18-27)45-37-13-5-1-9-32(37)33-10-2-6-14-38(33)45;44-26-28-25-30(46-40-15-7-3-11-34(40)36-23-24-37-35-12-4-8-16-41(35)47-43(37)42(36)46)21-22-31(28)27-17-19-29(20-18-27)45-38-13-5-1-9-32(38)33-10-2-6-14-39(33)45;44-26-28-25-30(46-38-15-7-3-11-34(38)42-39(46)23-24-41-43(42)35-12-4-8-16-40(35)47-41)21-22-31(28)27-17-19-29(20-18-27)45-36-13-5-1-9-32(36)33-10-2-6-14-37(33)45/h6*1-25H
• InChIKey: NUJITNWYVVWWRE-UHFFFAOYSA-N
• XLogP: 67.91
• TPSA: 280.74 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 282
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3598.16
LogP ≤ 5	67.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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 5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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 165038768) is 5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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 5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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 5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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 N#Cc1cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.N#Cc1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.

What is the InChIKey of 5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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 NUJITNWYVVWWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/6C43H25N3O/c44-26-28-25-30(46-39-15-7-3-12-36(39)42-40(46)24-23-35-34-11-4-8-16-41(34)47-43(35)42)21-22-31(28)27-17-19-29(20-18-27)45-37-13-5-1-9-32(37)33-10-2-6-14-38(33)45;44-26-28-23-30(46-40-15-7-3-11-34(40)36-25-43-37(24-41(36)46)35-12-4-8-16-42(35)47-43)21-22-31(28)27-17-19-29(20-18-27)45-38-13-5-1-9-32(38)33-10-2-6-14-39(33)45;44-26-28-23-30(46-40-15-7-3-11-34(40)36-24-37-35-12-4-8-16-42(35)47-43(37)25-41(36)46)21-22-31(28)27-17-19-29(20-18-27)45-38-13-5-1-9-32(38)33-10-2-6-14-39(33)45;44-26-28-25-30(46-39-15-7-3-11-34(39)35-23-24-41-42(43(35)46)36-12-4-8-16-40(36)47-41)21-22-31(28)27-17-19-29(20-18-27)45-37-13-5-1-9-32(37)33-10-2-6-14-38(33)45;44-26-28-25-30(46-40-15-7-3-11-34(40)36-23-24-37-35-12-4-8-16-41(35)47-43(37)42(36)46)21-22-31(28)27-17-19-29(20-18-27)45-38-13-5-1-9-32(38)33-10-2-6-14-39(33)45;44-26-28-25-30(46-38-15-7-3-11-34(38)42-39(46)23-24-41-43(42)35-12-4-8-16-40(35)47-41)21-22-31(28)27-17-19-29(20-18-27)45-36-13-5-1-9-32(36)33-10-2-6-14-37(33)45/h6*1-25H.

What are the key properties of 5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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?

5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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 3598.16 g/mol, XLogP of 67.91, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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 165038768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).