bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide

C120H80F20Ir2N10Pt2-2 — CID 161439372

About bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide

bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide (PubChem CID 161439372) has the molecular formula C120H80F20Ir2N10Pt2-2 and a molecular weight of 2816.58 g/mol. Its IUPAC name is bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide.

Molecular Properties

• Compound Name: bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide
• PubChem CID: 161439372
• Molecular Formula: C120H80F20Ir2N10Pt2-2
• Molecular Weight: 2816.58 g/mol
• Exact Mass: 2816.48
• IUPAC Name: bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide
• SMILES: C#CC#CC#CC#CC.CC#CC#CC#CC.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Cc1c[c-]c(-c2ccccn2)cc1.Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([n-]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[n-]5)C=C4)C=C3)c(F)c1F.[Ir].[Ir].[Pt+2].[Pt+2].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C44H8F20N4.C36H44N4.C12H10N.C11H8N.C9H4.C8H6.2Ir.2Pt/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50;1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2;;;;/h1-8H;17-20H,9-16H2,1-8H3;2-7,9H,1H3;1-6,8-9H;1H,2H3;1-2H3;;;;/q2*-2;2*-1;;;;;2*+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-
• InChIKey: KQLWGTLHKFJKGF-YZWQSMSZSA-N
• XLogP: 29.73
• TPSA: 133.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2816.58
LogP ≤ 5	29.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide?

The IUPAC name of bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide (CID 161439372) is bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide.

What is the SMILES notation for bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide?

The canonical SMILES for bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide is C#CC#CC#CC#CC.CC#CC#CC#CC.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Cc1c[c-]c(-c2ccccn2)cc1.Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([n-]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[n-]5)C=C4)C=C3)c(F)c1F.[Ir].[Ir].[Pt+2].[Pt+2].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide?

The InChIKey is KQLWGTLHKFJKGF-YZWQSMSZSA-N. The full InChI is InChI=1S/C44H8F20N4.C36H44N4.C12H10N.C11H8N.C9H4.C8H6.2Ir.2Pt/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50;1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2;;;;/h1-8H;17-20H,9-16H2,1-8H3;2-7,9H,1H3;1-6,8-9H;1H,2H3;1-2H3;;;;/q2*-2;2*-1;;;;;2*+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;.

What are the key properties of bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide?

bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide has a molecular weight of 2816.58 g/mol, XLogP of 29.73, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;nona-1,3,5,7-tetrayne;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;octa-2,4,6-triyne;2-phenylpyridine;bis(platinum(2+));5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide is sourced from PubChem (CID 161439372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).