5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile

C281H169N27O5 — CID 161256880

About 5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile

5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile (PubChem CID 161256880) has the molecular formula C281H169N27O5 and a molecular weight of 4003.63 g/mol. Its IUPAC name is 5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile.

Molecular Properties

• Compound Name: 5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
• PubChem CID: 161256880
• Molecular Formula: C281H169N27O5
• Molecular Weight: 4003.63 g/mol
• Exact Mass: 4000.38
• IUPAC Name: 5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(C#N)c(C#N)cc4-n4c5ccccc5c5ccccc54)c3cc21.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)cc1C#N.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc1C#N.[C-]#[N+]c1cc(-n2c3ccc(-c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc(C#N)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc(C#N)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.[C-]#[N+]c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)c1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/2C50H27N5O.C50H29N5O.C46H36N4O.C44H24N4O.C41H26N4/c1-52-39-24-27-45(38(29-51)49(39)55-42-19-9-4-14-33(42)34-15-5-10-20-43(34)55)54-44-25-22-30(53-40-17-7-2-12-31(40)32-13-3-8-18-41(32)53)28-37(44)48-46(54)26-23-36-35-16-6-11-21-47(35)56-50(36)48;51-28-30-25-46(54-42-18-8-3-13-35(42)36-14-4-9-19-43(36)54)47(26-31(30)29-52)55-44-23-21-32(53-40-16-6-1-11-33(40)34-12-2-7-17-41(34)53)27-39(44)49-45(55)24-22-38-37-15-5-10-20-48(37)56-50(38)49;51-30-32-27-46(54-42-20-10-7-17-37(42)38-18-8-11-21-43(38)54)47(28-33(32)31-52)55-44-25-23-36(53(34-13-3-1-4-14-34)35-15-5-2-6-16-35)29-41(44)49-45(55)26-24-40-39-19-9-12-22-48(39)56-50(40)49;1-45(2,3)28-16-19-38-34(23-28)35-24-29(46(4,5)6)17-20-39(35)50(38)43-27(26-47)22-30(25-36(43)48-7)49-37-14-10-8-13-33(37)42-40(49)21-18-32-31-12-9-11-15-41(31)51-44(32)42;1-46-36-25-30(23-29(26-45)43(36)48-37-16-8-5-13-31(37)32-14-6-9-17-38(32)48)47-39-21-19-28(27-11-3-2-4-12-27)24-35(39)42-40(47)22-20-34-33-15-7-10-18-41(33)49-44(34)42;1-41(2)33-15-7-3-11-27(33)31-21-32-30-14-6-10-18-37(30)45(38(32)22-34(31)41)40-20-26(24-43)25(23-42)19-39(40)44-35-16-8-4-12-28(35)29-13-5-9-17-36(29)44/h2-28H;1-27H;1-29H;8-25H,1-6H3;2-25H;3-22H,1-2H3
• InChIKey: VCAQQRFJNGTOCD-UHFFFAOYSA-N
• XLogP: 73.51
• TPSA: 365.15 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 313
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4003.63
LogP ≤ 5	73.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?

The IUPAC name of 5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile (CID 161256880) is 5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile.

What is the SMILES notation for 5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?

The canonical SMILES for 5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(C#N)c(C#N)cc4-n4c5ccccc5c5ccccc54)c3cc21.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)cc1C#N.N#Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc1C#N.[C-]#[N+]c1cc(-n2c3ccc(-c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc(C#N)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc(C#N)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.[C-]#[N+]c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)c(C#N)c1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?

The InChIKey is VCAQQRFJNGTOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H27N5O.C50H29N5O.C46H36N4O.C44H24N4O.C41H26N4/c1-52-39-24-27-45(38(29-51)49(39)55-42-19-9-4-14-33(42)34-15-5-10-20-43(34)55)54-44-25-22-30(53-40-17-7-2-12-31(40)32-13-3-8-18-41(32)53)28-37(44)48-46(54)26-23-36-35-16-6-11-21-47(35)56-50(36)48;51-28-30-25-46(54-42-18-8-3-13-35(42)36-14-4-9-19-43(36)54)47(26-31(30)29-52)55-44-23-21-32(53-40-16-6-1-11-33(40)34-12-2-7-17-41(34)53)27-39(44)49-45(55)24-22-38-37-15-5-10-20-48(37)56-50(38)49;51-30-32-27-46(54-42-20-10-7-17-37(42)38-18-8-11-21-43(38)54)47(28-33(32)31-52)55-44-25-23-36(53(34-13-3-1-4-14-34)35-15-5-2-6-16-35)29-41(44)49-45(55)26-24-40-39-19-9-12-22-48(39)56-50(40)49;1-45(2,3)28-16-19-38-34(23-28)35-24-29(46(4,5)6)17-20-39(35)50(38)43-27(26-47)22-30(25-36(43)48-7)49-37-14-10-8-13-33(37)42-40(49)21-18-32-31-12-9-11-15-41(31)51-44(32)42;1-46-36-25-30(23-29(26-45)43(36)48-37-16-8-5-13-31(37)32-14-6-9-17-38(32)48)47-39-21-19-28(27-11-3-2-4-12-27)24-35(39)42-40(47)22-20-34-33-15-7-10-18-41(33)49-44(34)42;1-41(2)33-15-7-3-11-27(33)31-21-32-30-14-6-10-18-37(30)45(38(32)22-34(31)41)40-20-26(24-43)25(23-42)19-39(40)44-35-16-8-4-12-28(35)29-13-5-9-17-36(29)44/h2-28H;1-27H;1-29H;8-25H,1-6H3;2-25H;3-22H,1-2H3.

What are the key properties of 5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?

5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile has a molecular weight of 4003.63 g/mol, XLogP of 73.51, 18 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 161256880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).