3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine

C147H107Ir4N15OS-8 — CID 159602250

About 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine

3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine (PubChem CID 159602250) has the molecular formula C147H107Ir4N15OS-8 and a molecular weight of 2900.51 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine.

Molecular Properties

• Compound Name: 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine
• PubChem CID: 159602250
• Molecular Formula: C147H107Ir4N15OS-8
• Molecular Weight: 2900.51 g/mol
• Exact Mass: 2901.71
• IUPAC Name: 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine
• SMILES: Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)nn1.[c-]1ccccc1-n1ncc(-c2ccc(-c3ccccc3)cc2)n1.[c-]1ccccc1C1(c2ccccn2)c2ccccc2-c2ccccc21.[c-]1ccccc1N(c1ccccc1)c1ccccn1.[c-]1ccccc1Oc1ccccn1.[c-]1ccccc1Sc1ccccn1
• InChI: InChI=1S/C24H16N.C23H19N2.C21H15N2.2C20H14N3.C17H13N2.C11H8NO.C11H8NS.4Ir/c1-2-10-18(11-3-1)24(23-16-8-9-17-25-23)21-14-6-4-12-19(21)20-13-5-7-15-22(20)24;1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-23(22-21-20)19-9-5-2-6-10-19;1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-21-23(22-20)19-9-5-2-6-10-19;1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;2*1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;;;/h1-10,12-17H;3-11,13-16H,1-2H3;1-9,11-16H;2*1-9,11-15H;1-11,13-14H;2*1-6,8-9H;;;;/q8*-1
• InChIKey: FGYUCZIGMVGBNG-UHFFFAOYSA-N
• XLogP: 34.73
• TPSA: 161.09 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2900.51
LogP ≤ 5	34.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine?

The IUPAC name of 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine (CID 159602250) is 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine.

What is the SMILES notation for 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine?

The canonical SMILES for 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine is Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)nn1.[c-]1ccccc1-n1ncc(-c2ccc(-c3ccccc3)cc2)n1.[c-]1ccccc1C1(c2ccccn2)c2ccccc2-c2ccccc21.[c-]1ccccc1N(c1ccccc1)c1ccccn1.[c-]1ccccc1Oc1ccccn1.[c-]1ccccc1Sc1ccccn1.

What is the InChIKey of 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine?

The InChIKey is FGYUCZIGMVGBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N.C23H19N2.C21H15N2.2C20H14N3.C17H13N2.C11H8NO.C11H8NS.4Ir/c1-2-10-18(11-3-1)24(23-16-8-9-17-25-23)21-14-6-4-12-19(21)20-13-5-7-15-22(20)24;1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-23(22-21-20)19-9-5-2-6-10-19;1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-21-23(22-20)19-9-5-2-6-10-19;1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;2*1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;;;/h1-10,12-17H;3-11,13-16H,1-2H3;1-9,11-16H;2*1-9,11-15H;1-11,13-14H;2*1-6,8-9H;;;;/q8*-1;;;;.

What are the key properties of 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine?

3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine has a molecular weight of 2900.51 g/mol, XLogP of 34.73, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tetrakis(iridium);2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;N-phenyl-N-phenylpyridin-2-amine;2-phenylsulfanylpyridine is sourced from PubChem (CID 159602250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).