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

C264H146N24O6 — CID 164982573

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

3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(3,4-dihydrocarbazol-9-yl)-4-isocyanophenyl]benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;3-(3-carbazol-9-yl-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)benzonitrile (PubChem CID 164982573) has the molecular formula C264H146N24O6 and a molecular weight of 3750.23 g/mol. Its IUPAC name is 3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(3,4-dihydrocarbazol-9-yl)-4-isocyanophenyl]benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;3-(3-carbazol-9-yl-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)benzonitrile.

Molecular Properties

• Compound Name: 3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(3,4-dihydrocarbazol-9-yl)-4-isocyanophenyl]benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;3-(3-carbazol-9-yl-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)benzonitrile
• PubChem CID: 164982573
• Molecular Formula: C264H146N24O6
• Molecular Weight: 3750.23 g/mol
• Exact Mass: 3747.19
• IUPAC Name: 3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(3,4-dihydrocarbazol-9-yl)-4-isocyanophenyl]benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;3-(3-carbazol-9-yl-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)benzonitrile
• SMILES: N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)c2)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c2)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)cc1-n1c2c(c3ccccc31)CCC=C2
• InChI: InChI=1S/C44H24N4O.C44H26N4O.4C44H24N4O/c1-46-37-21-18-28(25-41(37)48-39-15-7-2-10-31(39)32-11-3-8-16-40(32)48)29-22-27(26-45)23-30(24-29)47-38-14-6-4-12-33(38)35-19-20-36-34-13-5-9-17-42(34)49-44(36)43(35)47;1-46-36-20-18-28(25-40(36)48-38-15-7-2-10-31(38)32-11-3-8-16-39(32)48)29-22-27(26-45)23-30(24-29)47-37-14-6-4-12-33(37)34-19-21-42-43(44(34)47)35-13-5-9-17-41(35)49-42;1-46-37-19-18-28(23-42(37)48-39-15-7-2-10-31(39)32-11-3-8-16-40(32)48)29-20-27(26-45)21-30(22-29)47-38-14-6-4-12-33(38)35-25-44-36(24-41(35)47)34-13-5-9-17-43(34)49-44;1-46-37-19-18-28(23-42(37)48-39-15-7-2-10-31(39)32-11-3-8-16-40(32)48)29-20-27(26-45)21-30(22-29)47-38-14-6-4-12-33(38)35-24-36-34-13-5-9-17-43(34)49-44(36)25-41(35)47;1-46-35-19-18-28(25-40(35)48-36-14-6-2-10-31(36)32-11-3-7-15-37(32)48)29-22-27(26-45)23-30(24-29)47-38-16-8-4-12-33(38)43-39(47)20-21-42-44(43)34-13-5-9-17-41(34)49-42;45-25-27-19-29(23-31(21-27)47-38-13-5-1-9-33(38)34-10-2-6-14-39(34)47)30-20-28(26-46)22-32(24-30)48-40-15-7-3-12-37(40)43-41(48)18-17-36-35-11-4-8-16-42(35)49-44(36)43/h2-25H;2,4-10,12-25H,3,11H2;3*2-25H;1-24H
• InChIKey: FRYMPMXDANNDLI-UHFFFAOYSA-N
• XLogP: 70.35
• TPSA: 326.33 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 294
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3750.23
LogP ≤ 5	70.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(3,4-dihydrocarbazol-9-yl)-4-isocyanophenyl]benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;3-(3-carbazol-9-yl-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)benzonitrile?

The IUPAC name of 3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(3,4-dihydrocarbazol-9-yl)-4-isocyanophenyl]benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;3-(3-carbazol-9-yl-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)benzonitrile (CID 164982573) is 3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(3,4-dihydrocarbazol-9-yl)-4-isocyanophenyl]benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;3-(3-carbazol-9-yl-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)benzonitrile.

What is the SMILES notation for 3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(3,4-dihydrocarbazol-9-yl)-4-isocyanophenyl]benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;3-(3-carbazol-9-yl-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)benzonitrile?

The canonical SMILES for 3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(3,4-dihydrocarbazol-9-yl)-4-isocyanophenyl]benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;3-(3-carbazol-9-yl-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)benzonitrile is N#Cc1cc(-c2cc(C#N)cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)c2)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c2)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)cc1-n1c2c(c3ccccc31)CCC=C2.

What is the InChIKey of 3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(3,4-dihydrocarbazol-9-yl)-4-isocyanophenyl]benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;3-(3-carbazol-9-yl-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)benzonitrile?

The InChIKey is FRYMPMXDANNDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O.C44H26N4O.4C44H24N4O/c1-46-37-21-18-28(25-41(37)48-39-15-7-2-10-31(39)32-11-3-8-16-40(32)48)29-22-27(26-45)23-30(24-29)47-38-14-6-4-12-33(38)35-19-20-36-34-13-5-9-17-42(34)49-44(36)43(35)47;1-46-36-20-18-28(25-40(36)48-38-15-7-2-10-31(38)32-11-3-8-16-39(32)48)29-22-27(26-45)23-30(24-29)47-37-14-6-4-12-33(37)34-19-21-42-43(44(34)47)35-13-5-9-17-41(35)49-42;1-46-37-19-18-28(23-42(37)48-39-15-7-2-10-31(39)32-11-3-8-16-40(32)48)29-20-27(26-45)21-30(22-29)47-38-14-6-4-12-33(38)35-25-44-36(24-41(35)47)34-13-5-9-17-43(34)49-44;1-46-37-19-18-28(23-42(37)48-39-15-7-2-10-31(39)32-11-3-8-16-40(32)48)29-20-27(26-45)21-30(22-29)47-38-14-6-4-12-33(38)35-24-36-34-13-5-9-17-43(34)49-44(36)25-41(35)47;1-46-35-19-18-28(25-40(35)48-36-14-6-2-10-31(36)32-11-3-7-15-37(32)48)29-22-27(26-45)23-30(24-29)47-38-16-8-4-12-33(38)43-39(47)20-21-42-44(43)34-13-5-9-17-41(34)49-42;45-25-27-19-29(23-31(21-27)47-38-13-5-1-9-33(38)34-10-2-6-14-39(34)47)30-20-28(26-46)22-32(24-30)48-40-15-7-3-12-37(40)43-41(48)18-17-36-35-11-4-8-16-42(35)49-44(36)43/h2-25H;2,4-10,12-25H,3,11H2;3*2-25H;1-24H.

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

3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(3,4-dihydrocarbazol-9-yl)-4-isocyanophenyl]benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;3-(3-carbazol-9-yl-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)benzonitrile has a molecular weight of 3750.23 g/mol, XLogP of 70.35, 18 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(3,4-dihydrocarbazol-9-yl)-4-isocyanophenyl]benzonitrile;3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(3-carbazol-9-yl-4-isocyanophenyl)benzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile;3-(3-carbazol-9-yl-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)benzonitrile is sourced from PubChem (CID 164982573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).