benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)

C138H122ClF10Ir3N9O3Pt3-4 — CID 157407868

About benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)

benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) (PubChem CID 157407868) has the molecular formula C138H122ClF10Ir3N9O3Pt3-4 and a molecular weight of 3341.87 g/mol. Its IUPAC name is benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine).

Molecular Properties

• Compound Name: benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
• PubChem CID: 157407868
• Molecular Formula: C138H122ClF10Ir3N9O3Pt3-4
• Molecular Weight: 3341.87 g/mol
• Exact Mass: 3341.71
• IUPAC Name: benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
• SMILES: CC(=O)C=C(C)O.CCCCCCCCc1c[c-]c(-c2nccc3ccccc23)cc1.CF.CF.Cc1[c-]c(-c2ccc3ccc(C)cc3n2)cc(C)c1.Cc1cc2ccccc2nc1-c1[c-]cccc1.Cl[Pt+].FF.FF.FF.FF.Oc1ccccc1.[Ir].[Ir].[Ir].[Pt+2].[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1.[c-]1ccccc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
• InChI: InChI=1S/C24H16N2.C23H26N.C18H16N.2C16H11N2.C16H12N.C6H6O.2C6H5.C5H8O2.2CH3F.ClH.4F2.3Ir.3Pt/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-2-3-4-5-6-7-10-19-13-15-21(16-14-19)23-22-12-9-8-11-20(22)17-18-24-23;1-12-4-5-15-6-7-17(19-18(15)11-12)16-9-13(2)8-14(3)10-16;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13;7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;1-4(6)3-5(2)7;2*1-2;;4*1-2;;;;;;/h1-16H;8-9,11-15,17-18H,2-7,10H2,1H3;4-9,11H,1-3H3;2*1-11H;2-7,9-11H,1H3;1-5,7H;2*1-5H;3,6H,1-2H3;2*1H3;1H;;;;;;;;;;/q;5*-1;;2*-1;;;;;;;;;;;;;2*+2/p-1
• InChIKey: SRXQMTLWQGPXFD-UHFFFAOYSA-M
• XLogP: 39.19
• TPSA: 173.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3341.87
LogP ≤ 5	39.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?

The IUPAC name of benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) (CID 157407868) is benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine).

What is the SMILES notation for benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?

The canonical SMILES for benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) is CC(=O)C=C(C)O.CCCCCCCCc1c[c-]c(-c2nccc3ccccc23)cc1.CF.CF.Cc1[c-]c(-c2ccc3ccc(C)cc3n2)cc(C)c1.Cc1cc2ccccc2nc1-c1[c-]cccc1.Cl[Pt+].FF.FF.FF.FF.Oc1ccccc1.[Ir].[Ir].[Ir].[Pt+2].[Pt].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1.[c-]1ccccc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.

What is the InChIKey of benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?

The InChIKey is SRXQMTLWQGPXFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H16N2.C23H26N.C18H16N.2C16H11N2.C16H12N.C6H6O.2C6H5.C5H8O2.2CH3F.ClH.4F2.3Ir.3Pt/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-2-3-4-5-6-7-10-19-13-15-21(16-14-19)23-22-12-9-8-11-20(22)17-18-24-23;1-12-4-5-15-6-7-17(19-18(15)11-12)16-9-13(2)8-14(3)10-16;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13;7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;1-4(6)3-5(2)7;2*1-2;;4*1-2;;;;;;/h1-16H;8-9,11-15,17-18H,2-7,10H2,1H3;4-9,11H,1-3H3;2*1-11H;2-7,9-11H,1H3;1-5,7H;2*1-5H;3,6H,1-2H3;2*1H3;1H;;;;;;;;;;/q;5*-1;;2*-1;;;;;;;;;;;;;2*+2/p-1.

What are the key properties of benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?

benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) has a molecular weight of 3341.87 g/mol, XLogP of 39.19, 17 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;chloroplatinum(1+);2-(3,5-dimethylbenzene-6-id-1-yl)-7-methylquinoline;4,7-diphenyl-1,10-phenanthroline;fluoromethane;4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylquinoline;molecular fluorine;1-(4-octylbenzene-6-id-1-yl)isoquinoline;phenol;platinum;platinum(2+);bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) is sourced from PubChem (CID 157407868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).