3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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

C200H104N16O8 — CID 160752730

About 3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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

3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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 160752730) has the molecular formula C200H104N16O8 and a molecular weight of 2859.14 g/mol. Its IUPAC name is 3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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: 3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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: 160752730
• Molecular Formula: C200H104N16O8
• Molecular Weight: 2859.14 g/mol
• Exact Mass: 2856.82
• IUPAC Name: 3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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(-c2cc(C#N)cc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)c2)cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c2)cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1
• InChI: InChI=1S/4C50H26N4O2/c51-27-29-21-31(25-33(23-29)53-41-13-5-1-11-39(41)47-43(53)19-17-37-35-9-3-7-15-45(35)55-49(37)47)32-22-30(28-52)24-34(26-32)54-42-14-6-2-12-40(42)48-44(54)20-18-38-36-10-4-8-16-46(36)56-50(38)48;51-27-29-17-31(21-33(19-29)53-43-13-5-1-9-35(43)39-25-49-41(23-45(39)53)37-11-3-7-15-47(37)55-49)32-18-30(28-52)20-34(22-32)54-44-14-6-2-10-36(44)40-26-50-42(24-46(40)54)38-12-4-8-16-48(38)56-50;51-27-29-17-31(21-33(19-29)53-43-13-5-1-9-35(43)39-23-41-37-11-3-7-15-47(37)55-49(41)25-45(39)53)32-18-30(28-52)20-34(22-32)54-44-14-6-2-10-36(44)40-24-42-38-12-4-8-16-48(38)56-50(42)26-46(40)54;51-27-29-21-31(25-33(23-29)53-39-13-5-1-9-35(39)47-41(53)17-19-45-49(47)37-11-3-7-15-43(37)55-45)32-22-30(28-52)24-34(26-32)54-40-14-6-2-10-36(40)48-42(54)18-20-46-50(48)38-12-4-8-16-44(38)56-46/h4*1-26H
• InChIKey: RXAOSEKWSOZWKI-UHFFFAOYSA-N
• XLogP: 52.36
• TPSA: 334.88 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2859.14
LogP ≤ 5	52.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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 3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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 160752730) is 3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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 3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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 3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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(-c2cc(C#N)cc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)c2)cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1.N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c2)cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1.

What is the InChIKey of 3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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 RXAOSEKWSOZWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C50H26N4O2/c51-27-29-21-31(25-33(23-29)53-41-13-5-1-11-39(41)47-43(53)19-17-37-35-9-3-7-15-45(35)55-49(37)47)32-22-30(28-52)24-34(26-32)54-42-14-6-2-12-40(42)48-44(54)20-18-38-36-10-4-8-16-46(36)56-50(38)48;51-27-29-17-31(21-33(19-29)53-43-13-5-1-9-35(43)39-25-49-41(23-45(39)53)37-11-3-7-15-47(37)55-49)32-18-30(28-52)20-34(22-32)54-44-14-6-2-10-36(44)40-26-50-42(24-46(40)54)38-12-4-8-16-48(38)56-50;51-27-29-17-31(21-33(19-29)53-43-13-5-1-9-35(43)39-23-41-37-11-3-7-15-47(37)55-49(41)25-45(39)53)32-18-30(28-52)20-34(22-32)54-44-14-6-2-10-36(44)40-24-42-38-12-4-8-16-48(38)56-50(42)26-46(40)54;51-27-29-21-31(25-33(23-29)53-39-13-5-1-9-35(39)47-41(53)17-19-45-49(47)37-11-3-7-15-43(37)55-45)32-22-30(28-52)24-34(26-32)54-40-14-6-2-10-36(40)48-42(54)18-20-46-50(48)38-12-4-8-16-44(38)56-46/h4*1-26H.

What are the key properties of 3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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?

3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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 2859.14 g/mol, XLogP of 52.36, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-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)phenyl]-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 160752730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).