3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile

C183H89N23O4 — CID 160742139

About 3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile

3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile (PubChem CID 160742139) has the molecular formula C183H89N23O4 and a molecular weight of 2673.88 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile.

Molecular Properties

• Compound Name: 3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile
• PubChem CID: 160742139
• Molecular Formula: C183H89N23O4
• Molecular Weight: 2673.88 g/mol
• Exact Mass: 2671.75
• IUPAC Name: 3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile
• SMILES: [C-]#[N+]c1cc(C#N)c(-c2ccc(C#N)c(C#N)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(C#N)c(-c2cccc(C#N)c2-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2cc(C#N)c(C#N)cc2-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(C#N)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2ccc(C#N)c(C#N)c2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(C#N)c1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/3C46H22N6O.C45H23N5O/c1-50-37-22-28(25-48)35(23-42(37)51-38-14-6-2-10-29(38)30-11-3-7-15-39(30)51)32-19-18-27(24-47)36(26-49)45(32)52-40-16-8-4-13-34(40)44-41(52)21-20-33-31-12-5-9-17-43(31)53-46(33)44;1-50-36-19-18-29(35(26-49)46(36)52-37-14-6-2-10-30(37)31-11-3-7-15-38(31)52)34-22-27(24-47)28(25-48)23-41(34)51-39-16-8-4-12-32(39)44-40(51)20-21-43-45(44)33-13-5-9-17-42(33)53-43;1-50-38-21-20-28(37(26-49)46(38)51-39-14-6-2-10-29(39)30-11-3-7-15-40(30)51)33-19-18-27(24-47)36(25-48)45(33)52-41-16-8-4-12-31(41)34-23-44-35(22-42(34)52)32-13-5-9-17-43(32)53-44;1-48-37-21-28(26-47)34(23-42(37)49-38-17-6-2-12-29(38)30-13-3-7-18-39(30)49)33-16-10-11-27(25-46)45(33)50-40-19-8-4-14-31(40)35-22-36-32-15-5-9-20-43(32)51-44(36)24-41(35)50/h3*2-23H;2-24H
• InChIKey: RVSKVHMWHZPALA-UHFFFAOYSA-N
• XLogP: 46.58
• TPSA: 371.13 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2673.88
LogP ≤ 5	46.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile?

The IUPAC name of 3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile (CID 160742139) is 3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile.

What is the SMILES notation for 3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile?

The canonical SMILES for 3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile is [C-]#[N+]c1cc(C#N)c(-c2ccc(C#N)c(C#N)c2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(C#N)c(-c2cccc(C#N)c2-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2cc(C#N)c(C#N)cc2-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c(C#N)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2ccc(C#N)c(C#N)c2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c(C#N)c1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile?

The InChIKey is RVSKVHMWHZPALA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H22N6O.C45H23N5O/c1-50-37-22-28(25-48)35(23-42(37)51-38-14-6-2-10-29(38)30-11-3-7-15-39(30)51)32-19-18-27(24-47)36(26-49)45(32)52-40-16-8-4-13-34(40)44-41(52)21-20-33-31-12-5-9-17-43(31)53-46(33)44;1-50-36-19-18-29(35(26-49)46(36)52-37-14-6-2-10-30(37)31-11-3-7-15-38(31)52)34-22-27(24-47)28(25-48)23-41(34)51-39-16-8-4-12-32(39)44-40(51)20-21-43-45(44)33-13-5-9-17-42(33)53-43;1-50-38-21-20-28(37(26-49)46(38)51-39-14-6-2-10-29(39)30-11-3-7-15-40(30)51)33-19-18-27(24-47)36(25-48)45(33)52-41-16-8-4-12-31(41)34-23-44-35(22-42(34)52)32-13-5-9-17-43(32)53-44;1-48-37-21-28(26-47)34(23-42(37)49-38-17-6-2-12-29(38)30-13-3-7-18-39(30)49)33-16-10-11-27(25-46)45(33)50-40-19-8-4-14-31(40)35-22-36-32-15-5-9-20-43(32)51-44(36)24-41(35)50/h3*2-23H;2-24H.

What are the key properties of 3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile?

3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile has a molecular weight of 2673.88 g/mol, XLogP of 46.58, 12 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;2-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(5-carbazol-9-yl-2-cyano-4-isocyanophenyl)benzene-1,2-dicarbonitrile;4-(3-carbazol-9-yl-2-cyano-4-isocyanophenyl)-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)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 160742139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).