9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile

C161H91N17OS — CID 161369579

About 9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile

9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 161369579) has the molecular formula C161H91N17OS and a molecular weight of 2311.68 g/mol. Its IUPAC name is 9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

• Compound Name: 9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile
• PubChem CID: 161369579
• Molecular Formula: C161H91N17OS
• Molecular Weight: 2311.68 g/mol
• Exact Mass: 2309.73
• IUPAC Name: 9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile
• SMILES: CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(-n5c6ccc(C#N)cc6c6cc(C#N)ccc65)c4)c3c21.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c1.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1
• InChI: InChI=1S/C44H25N5.C41H26N4.C38H20N4O.C38H20N4S/c45-26-28-17-21-41-37(23-28)38-24-29(27-46)18-22-42(38)47(41)31-11-8-12-32(25-31)49-40-16-7-5-14-34(40)36-20-19-35-33-13-4-6-15-39(33)48(43(35)44(36)49)30-9-2-1-3-10-30;1-41(2)35-12-5-3-10-29(35)31-16-17-32-30-11-4-6-13-36(30)45(40(32)39(31)41)28-9-7-8-27(22-28)44-37-18-14-25(23-42)20-33(37)34-21-26(24-43)15-19-38(34)44;2*39-21-23-12-14-34-29(16-23)30-17-24(22-40)13-15-35(30)41(34)25-6-5-7-26(18-25)42-33-10-3-1-8-27(33)31-20-38-32(19-36(31)42)28-9-2-4-11-37(28)43-38/h1-25H;3-22H,1-2H3;2*1-20H
• InChIKey: VQHCALKVEYQXFC-UHFFFAOYSA-N
• XLogP: 40.17
• TPSA: 247.83 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2311.68
LogP ≤ 5	40.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile?

The IUPAC name of 9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile (CID 161369579) is 9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile.

What is the SMILES notation for 9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile?

The canonical SMILES for 9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(-n5c6ccc(C#N)cc6c6cc(C#N)ccc65)c4)c3c21.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c1.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1.

What is the InChIKey of 9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile?

The InChIKey is VQHCALKVEYQXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N5.C41H26N4.C38H20N4O.C38H20N4S/c45-26-28-17-21-41-37(23-28)38-24-29(27-46)18-22-42(38)47(41)31-11-8-12-32(25-31)49-40-16-7-5-14-34(40)36-20-19-35-33-13-4-6-15-39(33)48(43(35)44(36)49)30-9-2-1-3-10-30;1-41(2)35-12-5-3-10-29(35)31-16-17-32-30-11-4-6-13-36(30)45(40(32)39(31)41)28-9-7-8-27(22-28)44-37-18-14-25(23-42)20-33(37)34-21-26(24-43)15-19-38(34)44;2*39-21-23-12-14-34-29(16-23)30-17-24(22-40)13-15-35(30)41(34)25-6-5-7-26(18-25)42-33-10-3-1-8-27(33)31-20-38-32(19-36(31)42)28-9-2-4-11-37(28)43-38/h1-25H;3-22H,1-2H3;2*1-20H.

What are the key properties of 9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile?

9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 2311.68 g/mol, XLogP of 40.17, 9 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 161369579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).