4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium

C34H31N3PPt+ — CID 59685583

IUPAC4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium
SMILESCc1cc(Cn2[c-]ccc2)nc(Cn2[c-]ccc2)c1.[Pt+2].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C16H15N3.Pt/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-10-15(12-18-6-2-3-7-18)17-16(11-14)13-19-8-4-5-9-19;/h1-15H;2-6,8,10-11H,12-13H2,1H3;/q;-2;+2/p+1
InChIKeyWTGSFGCZNBRXSY-UHFFFAOYSA-O
MW707.70 g/mol
LogP5.86
Rot. Bonds7

About 4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium

4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium (PubChem CID 59685583) has the molecular formula C34H31N3PPt+ and a molecular weight of 707.70 g/mol. Its IUPAC name is 4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium.

Molecular Properties

Compound Name4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium
PubChem CID59685583
Molecular FormulaC34H31N3PPt+
Molecular Weight707.70 g/mol
Exact Mass707.19
IUPAC Name4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium
SMILESCc1cc(Cn2[c-]ccc2)nc(Cn2[c-]ccc2)c1.[Pt+2].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C16H15N3.Pt/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-10-15(12-18-6-2-3-7-18)17-16(11-14)13-19-8-4-5-9-19;/h1-15H;2-6,8,10-11H,12-13H2,1H3;/q;-2;+2/p+1
InChIKeyWTGSFGCZNBRXSY-UHFFFAOYSA-O
XLogP5.86
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.70
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium?
The IUPAC name of 4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium (CID 59685583) is 4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium.
What is the SMILES notation for 4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium?
The canonical SMILES for 4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium is Cc1cc(Cn2[c-]ccc2)nc(Cn2[c-]ccc2)c1.[Pt+2].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium?
The InChIKey is WTGSFGCZNBRXSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.C16H15N3.Pt/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-10-15(12-18-6-2-3-7-18)17-16(11-14)13-19-8-4-5-9-19;/h1-15H;2-6,8,10-11H,12-13H2,1H3;/q;-2;+2/p+1.
What are the key properties of 4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium?
4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium has a molecular weight of 707.70 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium is sourced from PubChem (CID 59685583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).