3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide

C132H109F3IrN9O2- — CID 158677522

IUPAC3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide
SMILESCC(=O)C=C(C)O.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccccn1.[Ir].c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1
InChIInChI=1S/C46H46N2.C39H27N3.C30H20N2.C12H8F3N2.C5H8O2.Ir/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43;1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;1-8-9(10-4-2-3-7-16-10)5-6-11(17-8)12(13,14)15;1-4(6)3-5(2)7;/h8-31H,5-7,32-33H2,1-4H3;1-27H;1-20H;2-4,6-7H,1H3;3,6H,1-2H3;/q;;;-1;;
InChIKeySLENQPKZTBFHEA-UHFFFAOYSA-N
MW2102.60 g/mol
LogP35.17
Rot. Bonds18

About 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide

3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide (PubChem CID 158677522) has the molecular formula C132H109F3IrN9O2- and a molecular weight of 2102.60 g/mol. Its IUPAC name is 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide.

Molecular Properties

Compound Name3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide
PubChem CID158677522
Molecular FormulaC132H109F3IrN9O2-
Molecular Weight2102.60 g/mol
Exact Mass2101.83
IUPAC Name3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide
SMILESCC(=O)C=C(C)O.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccccn1.[Ir].c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1
InChIInChI=1S/C46H46N2.C39H27N3.C30H20N2.C12H8F3N2.C5H8O2.Ir/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43;1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;1-8-9(10-4-2-3-7-16-10)5-6-11(17-8)12(13,14)15;1-4(6)3-5(2)7;/h8-31H,5-7,32-33H2,1-4H3;1-27H;1-20H;2-4,6-7H,1H3;3,6H,1-2H3;/q;;;-1;;
InChIKeySLENQPKZTBFHEA-UHFFFAOYSA-N
XLogP35.17
TPSA118.09 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002102.60
LogP ≤ 535.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide with MolForge

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Related Compounds

(Z)-4-hydroxypent-3-en-2-one;iridium;bis(9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-2H-carbazol-2-ide)
CID 139253798
9-(4-Fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole
CID 88863161
2,6-Bis[3,6-bis(2-phenylpyridin-4-yl)carbazol-9-yl]-3-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382227
2,6-Bis[3,6-bis(2-phenylpyridin-3-yl)carbazol-9-yl]-3-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382231
2,6-Bis[3,6-bis(6-phenylpyridin-3-yl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386423
2,6-Bis[3,6-bis(2-phenylpyridin-4-yl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386659
2,6-Bis[3,6-bis(2-phenylpyridin-3-yl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386669
2,6-Bis[3,6-bis(2-phenylpyridin-4-yl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137393453
3-(3,5-Dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]pyridin-3-yl]-5-(trifluoromethyl)phenyl]pyridin-4-yl]carbazole
CID 139313529
9-[2,6-Bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]pyridin-3-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 139313530
9-[2,6-Bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]pyridin-3-yl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 139313535
3-[3,5-Bis(trifluoromethyl)phenyl]-9-[3-[2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]pyridin-3-yl]-5-(trifluoromethyl)phenyl]pyridin-4-yl]carbazole
CID 139313536

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide?
The IUPAC name of 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide (CID 158677522) is 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide.
What is the SMILES notation for 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide?
The canonical SMILES for 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide is CC(=O)C=C(C)O.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)CCCCC3)cc2)cc1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccccn1.[Ir].c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.
What is the InChIKey of 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide?
The InChIKey is SLENQPKZTBFHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N2.C39H27N3.C30H20N2.C12H8F3N2.C5H8O2.Ir/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43;1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;1-8-9(10-4-2-3-7-16-10)5-6-11(17-8)12(13,14)15;1-4(6)3-5(2)7;/h8-31H,5-7,32-33H2,1-4H3;1-27H;1-20H;2-4,6-7H,1H3;3,6H,1-2H3;/q;;;-1;;.
What are the key properties of 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide?
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide has a molecular weight of 2102.60 g/mol, XLogP of 35.17, 18 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-(3-carbazol-9-ylphenyl)carbazole;4-hydroxypent-3-en-2-one;iridium;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide is sourced from PubChem (CID 158677522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).