4-[9-[4-(3-cyanophenyl)-3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;ethane;prop-1-ene

C61H44F3N7 — CID 142465969

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

4-[9-[4-(3-cyanophenyl)-3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;ethane;prop-1-ene (PubChem CID 142465969) has the molecular formula C61H44F3N7 and a molecular weight of 932.07 g/mol. Its IUPAC name is 4-[9-[4-(3-cyanophenyl)-3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;ethane;prop-1-ene.

Molecular Properties

• Compound Name: 4-[9-[4-(3-cyanophenyl)-3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;ethane;prop-1-ene
• PubChem CID: 142465969
• Molecular Formula: C61H44F3N7
• Molecular Weight: 932.07 g/mol
• Exact Mass: 931.36
• IUPAC Name: 4-[9-[4-(3-cyanophenyl)-3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;ethane;prop-1-ene
• SMILES: C=CC.CC.CC.N#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c(C(F)(F)F)c2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c1
• InChI: InChI=1S/C54H26F3N7.C3H6.2C2H6/c55-54(56,57)52-51(63-47-10-3-1-8-43(47)45-25-36(14-19-49(45)63)40-16-12-33(28-59)23-38(40)30-61)21-18-42(35-7-5-6-32(22-35)27-58)53(52)64-48-11-4-2-9-44(48)46-26-37(15-20-50(46)64)41-17-13-34(29-60)24-39(41)31-62;1-3-2;2*1-2/h1-26H;3H,1H2,2H3;2*1-2H3
• InChIKey: ZBTYEIPBKCUVNE-UHFFFAOYSA-N
• XLogP: 16.50
• TPSA: 128.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.07
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-[9-[4-(3-cyanophenyl)-3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;ethane;prop-1-ene (CID 142465969) is 4-[9-[4-(3-cyanophenyl)-3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;ethane;prop-1-ene.

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

The canonical SMILES for 4-[9-[4-(3-cyanophenyl)-3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;ethane;prop-1-ene is C=CC.CC.CC.N#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c(C(F)(F)F)c2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c1.

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

The InChIKey is ZBTYEIPBKCUVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H26F3N7.C3H6.2C2H6/c55-54(56,57)52-51(63-47-10-3-1-8-43(47)45-25-36(14-19-49(45)63)40-16-12-33(28-59)23-38(40)30-61)21-18-42(35-7-5-6-32(22-35)27-58)53(52)64-48-11-4-2-9-44(48)46-26-37(15-20-50(46)64)41-17-13-34(29-60)24-39(41)31-62;1-3-2;2*1-2/h1-26H;3H,1H2,2H3;2*1-2H3.

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

4-[9-[4-(3-cyanophenyl)-3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;ethane;prop-1-ene has a molecular weight of 932.07 g/mol, XLogP of 16.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[4-(3-cyanophenyl)-3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile;ethane;prop-1-ene is sourced from PubChem (CID 142465969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).