4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile

C65H36F3N7 — CID 146393827

About 4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile

4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile (PubChem CID 146393827) has the molecular formula C65H36F3N7 and a molecular weight of 972.05 g/mol. Its IUPAC name is 4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile
• PubChem CID: 146393827
• Molecular Formula: C65H36F3N7
• Molecular Weight: 972.05 g/mol
• Exact Mass: 971.30
• IUPAC Name: 4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile
• SMILES: Cc1cc(-c2cc(-n3c4cc(-c5ccc(C#N)cc5)ccc4c4ccc(-c5ccc(C#N)cc5)cc43)ncc2-n2c3cc(-c4ccc(C#N)cc4)ccc3c3ccc(-c4ccc(C#N)cc4)cc32)cc(C(F)(F)F)c1
• InChI: InChI=1S/C65H36F3N7/c1-39-26-52(28-53(27-39)65(66,67)68)58-33-64(75-61-31-50(46-14-6-42(36-71)7-15-46)20-24-56(61)57-25-21-51(32-62(57)75)47-16-8-43(37-72)9-17-47)73-38-63(58)74-59-29-48(44-10-2-40(34-69)3-11-44)18-22-54(59)55-23-19-49(30-60(55)74)45-12-4-41(35-70)5-13-45/h2-33,38H,1H3
• InChIKey: QUMRABHMEGZPMI-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 117.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.05
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile?

The IUPAC name of 4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile (CID 146393827) is 4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile.

What is the SMILES notation for 4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile?

The canonical SMILES for 4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile is Cc1cc(-c2cc(-n3c4cc(-c5ccc(C#N)cc5)ccc4c4ccc(-c5ccc(C#N)cc5)cc43)ncc2-n2c3cc(-c4ccc(C#N)cc4)ccc3c3ccc(-c4ccc(C#N)cc4)cc32)cc(C(F)(F)F)c1.

What is the InChIKey of 4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile?

The InChIKey is QUMRABHMEGZPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H36F3N7/c1-39-26-52(28-53(27-39)65(66,67)68)58-33-64(75-61-31-50(46-14-6-42(36-71)7-15-46)20-24-56(61)57-25-21-51(32-62(57)75)47-16-8-43(37-72)9-17-47)73-38-63(58)74-59-29-48(44-10-2-40(34-69)3-11-44)18-22-54(59)55-23-19-49(30-60(55)74)45-12-4-41(35-70)5-13-45/h2-33,38H,1H3.

What are the key properties of 4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile?

4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile has a molecular weight of 972.05 g/mol, XLogP of 16.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[5-[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-7-(4-cyanophenyl)carbazol-2-yl]benzonitrile is sourced from PubChem (CID 146393827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).