2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+)

C37H47N4Pt+ — CID 58666241

About 2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+)

2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+) (PubChem CID 58666241) has the molecular formula C37H47N4Pt+ and a molecular weight of 742.89 g/mol. Its IUPAC name is 2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+).

Molecular Properties

• Compound Name: 2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+)
• PubChem CID: 58666241
• Molecular Formula: C37H47N4Pt+
• Molecular Weight: 742.89 g/mol
• Exact Mass: 742.34
• IUPAC Name: 2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+)
• SMILES: CCC1=C(CC)c2cc3[n-]c(cc4[n+](C)c(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[Pt+2]
• InChI: InChI=1S/C37H47N4.Pt/c1-10-22-23(11-2)31-19-33-25(13-4)27(15-6)35(40-33)21-37-29(17-8)28(16-7)36(41(37)9)20-34-26(14-5)24(12-3)32(39-34)18-30(22)38-31;/h18-21H,10-17H2,1-9H3;/q-1;+2/b30-18-,31-19-,32-18-,33-19-,34-20-,35-21-,36-20-,37-21-
• InChIKey: OLHPIMONVXKICR-MJYCZNDISA-N
• XLogP: 8.71
• TPSA: 44.97 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.89
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+)?

The IUPAC name of 2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+) (CID 58666241) is 2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+).

What is the SMILES notation for 2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+)?

The canonical SMILES for 2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+) is CCC1=C(CC)c2cc3[n-]c(cc4[n+](C)c(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[Pt+2].

What is the InChIKey of 2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+)?

The InChIKey is OLHPIMONVXKICR-MJYCZNDISA-N. The full InChI is InChI=1S/C37H47N4.Pt/c1-10-22-23(11-2)31-19-33-25(13-4)27(15-6)35(40-33)21-37-29(17-8)28(16-7)36(41(37)9)20-34-26(14-5)24(12-3)32(39-34)18-30(22)38-31;/h18-21H,10-17H2,1-9H3;/q-1;+2/b30-18-,31-19-,32-18-,33-19-,34-20-,35-21-,36-20-,37-21-;.

What are the key properties of 2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+)?

2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+) has a molecular weight of 742.89 g/mol, XLogP of 8.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,7,8,12,13,17,18-octaethyl-21-methylporphyrin-21-ium-22,24-diide;platinum(2+) is sourced from PubChem (CID 58666241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).