dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione)

C56H44Cl2N4O4P2Pt+2 — CID 59695537

IUPACdichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione)
SMILESCl[Pt]Cl.O=c1c2ccccc2c(=O)n2n1[C@H](c1ccccc1)[PH+](c1ccccc1)[C@H]2c1ccccc1.O=c1c2ccccc2c(=O)n2n1[C@H](c1ccccc1)[PH+](c1ccccc1)[C@H]2c1ccccc1
InChIInChI=1S/2C28H21N2O2P.2ClH.Pt/c2*31-25-23-18-10-11-19-24(23)26(32)30-28(21-14-6-2-7-15-21)33(22-16-8-3-9-17-22)27(29(25)30)20-12-4-1-5-13-20;;;/h2*1-19,27-28H;2*1H;/q;;;;+2/t2*27-,28-;;;/m00.../s1
InChIKeyPJTOEGRPBGVPKR-HTFQGUBTSA-N
MW1164.92 g/mol
LogP11.00
Rot. Bonds6

About dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione)

dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione) (PubChem CID 59695537) has the molecular formula C56H44Cl2N4O4P2Pt+2 and a molecular weight of 1164.92 g/mol. Its IUPAC name is dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione).

Molecular Properties

Compound Namedichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione)
PubChem CID59695537
Molecular FormulaC56H44Cl2N4O4P2Pt+2
Molecular Weight1164.92 g/mol
Exact Mass1163.19
IUPAC Namedichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione)
SMILESCl[Pt]Cl.O=c1c2ccccc2c(=O)n2n1[C@H](c1ccccc1)[PH+](c1ccccc1)[C@H]2c1ccccc1.O=c1c2ccccc2c(=O)n2n1[C@H](c1ccccc1)[PH+](c1ccccc1)[C@H]2c1ccccc1
InChIInChI=1S/2C28H21N2O2P.2ClH.Pt/c2*31-25-23-18-10-11-19-24(23)26(32)30-28(21-14-6-2-7-15-21)33(22-16-8-3-9-17-22)27(29(25)30)20-12-4-1-5-13-20;;;/h2*1-19,27-28H;2*1H;/q;;;;+2/t2*27-,28-;;;/m00.../s1
InChIKeyPJTOEGRPBGVPKR-HTFQGUBTSA-N
XLogP11.00
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001164.92
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione)?
The IUPAC name of dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione) (CID 59695537) is dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione).
What is the SMILES notation for dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione)?
The canonical SMILES for dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione) is Cl[Pt]Cl.O=c1c2ccccc2c(=O)n2n1[C@H](c1ccccc1)[PH+](c1ccccc1)[C@H]2c1ccccc1.O=c1c2ccccc2c(=O)n2n1[C@H](c1ccccc1)[PH+](c1ccccc1)[C@H]2c1ccccc1.
What is the InChIKey of dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione)?
The InChIKey is PJTOEGRPBGVPKR-HTFQGUBTSA-N. The full InChI is InChI=1S/2C28H21N2O2P.2ClH.Pt/c2*31-25-23-18-10-11-19-24(23)26(32)30-28(21-14-6-2-7-15-21)33(22-16-8-3-9-17-22)27(29(25)30)20-12-4-1-5-13-20;;;/h2*1-19,27-28H;2*1H;/q;;;;+2/t2*27-,28-;;;/m00.../s1.
What are the key properties of dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione)?
dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione) has a molecular weight of 1164.92 g/mol, XLogP of 11.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum;bis((1S,3S)-1,2,3-triphenyl-2,3-dihydro-1H-[1,2,4]diazaphospholo[1,2-b]phthalazin-2-ium-5,10-dione) is sourced from PubChem (CID 59695537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).