5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile

C58H30F3N7 — CID 155216668

About 5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile

5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 155216668) has the molecular formula C58H30F3N7 and a molecular weight of 881.92 g/mol. Its IUPAC name is 5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 155216668
• Molecular Formula: C58H30F3N7
• Molecular Weight: 881.92 g/mol
• Exact Mass: 881.25
• IUPAC Name: 5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
• SMILES: N#Cc1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4cc(C(F)(F)F)cc(-n5c6ccccc6c6ccc(-c7cc(C#N)cc(C#N)c7)cc65)c4-c4cccc(-c5ccccc5)n4)c3c2)c1
• InChI: InChI=1S/C58H30F3N7/c59-58(60,61)44-29-55(67-51-15-6-4-11-45(51)47-19-17-40(27-53(47)67)42-23-35(31-62)21-36(24-42)32-63)57(50-14-8-13-49(66-50)39-9-2-1-3-10-39)56(30-44)68-52-16-7-5-12-46(52)48-20-18-41(28-54(48)68)43-25-37(33-64)22-38(26-43)34-65/h1-30H
• InChIKey: PUBFBLDHLULRLZ-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 117.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.92
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile?

The IUPAC name of 5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 155216668) is 5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4cc(C(F)(F)F)cc(-n5c6ccccc6c6ccc(-c7cc(C#N)cc(C#N)c7)cc65)c4-c4cccc(-c5ccccc5)n4)c3c2)c1.

What is the InChIKey of 5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile?

The InChIKey is PUBFBLDHLULRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H30F3N7/c59-58(60,61)44-29-55(67-51-15-6-4-11-45(51)47-19-17-40(27-53(47)67)42-23-35(31-62)21-36(24-42)32-63)57(50-14-8-13-49(66-50)39-9-2-1-3-10-39)56(30-44)68-52-16-7-5-12-46(52)48-20-18-41(28-54(48)68)43-25-37(33-64)22-38(26-43)34-65/h1-30H.

What are the key properties of 5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile?

5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 881.92 g/mol, XLogP of 14.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155216668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).