tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))

C52H44N4O4Pt2 — CID 139044461

IUPACtetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))
SMILESCc1ccc([O-])cc1.Cc1ccc([O-])cc1.Cc1ccc([O-])cc1.Cc1ccc([O-])cc1.[Pt+2].[Pt+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.4C7H8O.2Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-6-2-4-7(8)5-3-6;;/h2*1-8H;4*2-5,8H,1H3;;/q;;;;;;2*+2/p-4
InChIKeyPONGNKCJOWBGGQ-UHFFFAOYSA-J
MW1179.10 g/mol
LogP9.84
Rot. Bonds

About tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))

tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+)) (PubChem CID 139044461) has the molecular formula C52H44N4O4Pt2 and a molecular weight of 1179.10 g/mol. Its IUPAC name is tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+)).

Molecular Properties

Compound Nametetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))
PubChem CID139044461
Molecular FormulaC52H44N4O4Pt2
Molecular Weight1179.10 g/mol
Exact Mass1178.27
IUPAC Nametetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))
SMILESCc1ccc([O-])cc1.Cc1ccc([O-])cc1.Cc1ccc([O-])cc1.Cc1ccc([O-])cc1.[Pt+2].[Pt+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.4C7H8O.2Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-6-2-4-7(8)5-3-6;;/h2*1-8H;4*2-5,8H,1H3;;/q;;;;;;2*+2/p-4
InChIKeyPONGNKCJOWBGGQ-UHFFFAOYSA-J
XLogP9.84
TPSA143.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.10
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))?
The IUPAC name of tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+)) (CID 139044461) is tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+)).
What is the SMILES notation for tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))?
The canonical SMILES for tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+)) is Cc1ccc([O-])cc1.Cc1ccc([O-])cc1.Cc1ccc([O-])cc1.Cc1ccc([O-])cc1.[Pt+2].[Pt+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))?
The InChIKey is PONGNKCJOWBGGQ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H8N2.4C7H8O.2Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-6-2-4-7(8)5-3-6;;/h2*1-8H;4*2-5,8H,1H3;;/q;;;;;;2*+2/p-4.
What are the key properties of tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))?
tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+)) has a molecular weight of 1179.10 g/mol, XLogP of 9.84, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+)) is sourced from PubChem (CID 139044461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).