hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten

C43H34N7O2W- — CID 176945350

About hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten

hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten (PubChem CID 176945350) has the molecular formula C43H34N7O2W- and a molecular weight of 864.63 g/mol. Its IUPAC name is hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten.

Molecular Properties

• Compound Name: hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten
• PubChem CID: 176945350
• Molecular Formula: C43H34N7O2W-
• Molecular Weight: 864.63 g/mol
• Exact Mass: 864.23
• IUPAC Name: hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten
• SMILES: C.COO.[W].[c-]1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1
• InChI: InChI=1S/C41H26N7.CH4O2.CH4.W/c1-2-4-26(5-3-1)38-30-6-8-32(45-30)39(27-14-20-42-21-15-27)34-10-12-36(47-34)41(29-18-24-44-25-19-29)37-13-11-35(48-37)40(28-16-22-43-23-17-28)33-9-7-31(38)46-33;1-3-2;;/h2-25,45,48H;2H,1H3;1H4;/q-1;;;/b38-30-,38-31-,39-32-,39-34-,40-33-,40-35-,41-36-,41-37-
• InChIKey: IUMZHOKKFMHZFV-DSRBHEAKSA-N
• XLogP: 10.05
• TPSA: 125.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.63
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten?

The IUPAC name of hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten (CID 176945350) is hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten.

What is the SMILES notation for hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten?

The canonical SMILES for hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten is C.COO.[W].[c-]1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1.

What is the InChIKey of hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten?

The InChIKey is IUMZHOKKFMHZFV-DSRBHEAKSA-N. The full InChI is InChI=1S/C41H26N7.CH4O2.CH4.W/c1-2-4-26(5-3-1)38-30-6-8-32(45-30)39(27-14-20-42-21-15-27)34-10-12-36(47-34)41(29-18-24-44-25-19-29)37-13-11-35(48-37)40(28-16-22-43-23-17-28)33-9-7-31(38)46-33;1-3-2;;/h2-25,45,48H;2H,1H3;1H4;/q-1;;;/b38-30-,38-31-,39-32-,39-34-,40-33-,40-35-,41-36-,41-37-;;;.

What are the key properties of hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten?

hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten has a molecular weight of 864.63 g/mol, XLogP of 10.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for hydroperoxymethane;methane;5-phenyl-10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin;tungsten is sourced from PubChem (CID 176945350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).