4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile

C186H122F9N15 — CID 157289693

About 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile

4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile (PubChem CID 157289693) has the molecular formula C186H122F9N15 and a molecular weight of 2738.11 g/mol. Its IUPAC name is 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
• PubChem CID: 157289693
• Molecular Formula: C186H122F9N15
• Molecular Weight: 2738.11 g/mol
• Exact Mass: 2735.99
• IUPAC Name: 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
• SMILES: [C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccc(-c4cc(C)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)cc1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)cc1
• InChI: InChI=1S/C66H49N5.C64H39F6N5.C56H34F3N5/c1-40-30-42(3)63(43(4)31-40)51-24-28-61-57(34-51)58-35-52(64-44(5)32-41(2)33-45(64)6)25-29-62(58)71(61)65-55(47-20-18-46(39-67)19-21-47)36-53(37-56(65)48-22-26-54(68-7)27-23-48)66-69-59(49-14-10-8-11-15-49)38-60(70-66)50-16-12-9-13-17-50;1-38-26-47(30-50(28-38)63(65,66)67)45-20-24-59-55(32-45)56-33-46(48-27-39(2)29-51(31-48)64(68,69)70)21-25-60(56)75(59)61-53(41-16-14-40(37-71)15-17-41)34-49(35-54(61)42-18-22-52(72-3)23-19-42)62-73-57(43-10-6-4-7-11-43)36-58(74-62)44-12-8-5-9-13-44;1-35-27-42(29-44(28-35)56(57,58)59)41-23-26-53-49(30-41)46-15-9-10-16-52(46)64(53)54-47(37-19-17-36(34-60)18-20-37)31-43(32-48(54)38-21-24-45(61-2)25-22-38)55-62-50(39-11-5-3-6-12-39)33-51(63-55)40-13-7-4-8-14-40/h8-38H,1-6H3;4-36H,1-2H3;3-33H,1H3
• InChIKey: BAQPXDXDBOFGAP-UHFFFAOYSA-N
• XLogP: 51.16
• TPSA: 176.58 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2738.11
LogP ≤ 5	51.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile?

The IUPAC name of 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile (CID 157289693) is 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile.

What is the SMILES notation for 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile?

The canonical SMILES for 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile is [C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccc(-c4cc(C)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)cc1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3)c2-n2c3ccccc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)cc1.

What is the InChIKey of 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile?

The InChIKey is BAQPXDXDBOFGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N5.C64H39F6N5.C56H34F3N5/c1-40-30-42(3)63(43(4)31-40)51-24-28-61-57(34-51)58-35-52(64-44(5)32-41(2)33-45(64)6)25-29-62(58)71(61)65-55(47-20-18-46(39-67)19-21-47)36-53(37-56(65)48-22-26-54(68-7)27-23-48)66-69-59(49-14-10-8-11-15-49)38-60(70-66)50-16-12-9-13-17-50;1-38-26-47(30-50(28-38)63(65,66)67)45-20-24-59-55(32-45)56-33-46(48-27-39(2)29-51(31-48)64(68,69)70)21-25-60(56)75(59)61-53(41-16-14-40(37-71)15-17-41)34-49(35-54(61)42-18-22-52(72-3)23-19-42)62-73-57(43-10-6-4-7-11-43)36-58(74-62)44-12-8-5-9-13-44;1-35-27-42(29-44(28-35)56(57,58)59)41-23-26-53-49(30-41)46-15-9-10-16-52(46)64(53)54-47(37-19-17-36(34-60)18-20-37)31-43(32-48(54)38-21-24-45(61-2)25-22-38)55-62-50(39-11-5-3-6-12-39)33-51(63-55)40-13-7-4-8-14-40/h8-38H,1-6H3;4-36H,1-2H3;3-33H,1H3.

What are the key properties of 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile?

4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 2738.11 g/mol, XLogP of 51.16, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)phenyl]benzonitrile;4-[5-(4,6-diphenylpyrimidin-2-yl)-3-(4-isocyanophenyl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 157289693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).