platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin

C32H10F28N4Pt — CID 161320346

About platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin

platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin (PubChem CID 161320346) has the molecular formula C32H10F28N4Pt and a molecular weight of 1177.48 g/mol. Its IUPAC name is platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin.

Molecular Properties

• Compound Name: platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin
• PubChem CID: 161320346
• Molecular Formula: C32H10F28N4Pt
• Molecular Weight: 1177.48 g/mol
• Exact Mass: 1177.01
• IUPAC Name: platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin
• SMILES: FC(F)(F)C(F)(F)C(F)(F)c1c2nc(c(C(F)(F)C(F)(F)C(F)(F)F)c3ccc([nH]3)c(C(F)(F)C(F)(F)C(F)(F)F)c3ccc([nH]3)c(C(F)(F)C(F)(F)C(F)(F)F)c3nc1C=C3)C=C2.[Pt]
• InChI: InChI=1S/C32H10F28N4.Pt/c33-21(34,25(41,42)29(49,50)51)17-9-1-2-10(61-9)18(22(35,36)26(43,44)30(52,53)54)12-5-6-14(63-12)20(24(39,40)28(47,48)32(58,59)60)16-8-7-15(64-16)19(13-4-3-11(17)62-13)23(37,38)27(45,46)31(55,56)57;/h1-8,61-62H;/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+
• InChIKey: BLBYYBNMMRLXEJ-HQJDZOCDSA-N
• XLogP: 13.81
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1177.48
LogP ≤ 5	13.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin?

The IUPAC name of platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin (CID 161320346) is platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin.

What is the SMILES notation for platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin?

The canonical SMILES for platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin is FC(F)(F)C(F)(F)C(F)(F)c1c2nc(c(C(F)(F)C(F)(F)C(F)(F)F)c3ccc([nH]3)c(C(F)(F)C(F)(F)C(F)(F)F)c3ccc([nH]3)c(C(F)(F)C(F)(F)C(F)(F)F)c3nc1C=C3)C=C2.[Pt].

What is the InChIKey of platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin?

The InChIKey is BLBYYBNMMRLXEJ-HQJDZOCDSA-N. The full InChI is InChI=1S/C32H10F28N4.Pt/c33-21(34,25(41,42)29(49,50)51)17-9-1-2-10(61-9)18(22(35,36)26(43,44)30(52,53)54)12-5-6-14(63-12)20(24(39,40)28(47,48)32(58,59)60)16-8-7-15(64-16)19(13-4-3-11(17)62-13)23(37,38)27(45,46)31(55,56)57;/h1-8,61-62H;/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;.

What are the key properties of platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin?

platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin has a molecular weight of 1177.48 g/mol, XLogP of 13.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin is sourced from PubChem (CID 161320346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).