5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

C54H26F3N7 — CID 142465726

About 5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 142465726) has the molecular formula C54H26F3N7 and a molecular weight of 829.84 g/mol. Its IUPAC name is 5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 142465726
• Molecular Formula: C54H26F3N7
• Molecular Weight: 829.84 g/mol
• Exact Mass: 829.22
• IUPAC Name: 5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• SMILES: N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc(C#N)c3)c(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2C(F)(F)F)c1
• InChI: InChI=1S/C54H26F3N7/c55-54(56,57)52-51(63-47-10-3-1-8-43(47)45-25-37(12-15-49(45)63)40-21-33(28-59)18-34(22-40)29-60)17-14-42(39-7-5-6-32(20-39)27-58)53(52)64-48-11-4-2-9-44(48)46-26-38(13-16-50(46)64)41-23-35(30-61)19-36(24-41)31-62/h1-26H
• InChIKey: MEEUTLCUDKSZNS-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 128.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.84
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The IUPAC name of 5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 142465726) is 5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc(C#N)c3)c(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2C(F)(F)F)c1.

What is the InChIKey of 5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The InChIKey is MEEUTLCUDKSZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H26F3N7/c55-54(56,57)52-51(63-47-10-3-1-8-43(47)45-25-37(12-15-49(45)63)40-21-33(28-59)18-34(22-40)29-60)17-14-42(39-7-5-6-32(20-39)27-58)53(52)64-48-11-4-2-9-44(48)46-26-38(13-16-50(46)64)41-23-35(30-61)19-36(24-41)31-62/h1-26H.

What are the key properties of 5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 829.84 g/mol, XLogP of 13.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 142465726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).