bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+)

C50H38N4Pt — CID 58251458

IUPACbis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+)
SMILES[Pt+2].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1/C=N/c1ccccc1.[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1/C=N/c1ccccc1
InChIInChI=1S/2C25H19N2.Pt/c2*1-4-12-22(13-5-1)26-20-21-11-10-18-25(19-21)27(23-14-6-2-7-15-23)24-16-8-3-9-17-24;/h2*1-10,12-20H;/q2*-1;+2/b2*26-20+;
InChIKeyMKQXZIPWSMZGEX-SOIGDHAUSA-N
MW889.96 g/mol
LogP13.41
Rot. Bonds10

About bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+)

bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+) (PubChem CID 58251458) has the molecular formula C50H38N4Pt and a molecular weight of 889.96 g/mol. Its IUPAC name is bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+).

Molecular Properties

Compound Namebis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+)
PubChem CID58251458
Molecular FormulaC50H38N4Pt
Molecular Weight889.96 g/mol
Exact Mass889.27
IUPAC Namebis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+)
SMILES[Pt+2].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1/C=N/c1ccccc1.[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1/C=N/c1ccccc1
InChIInChI=1S/2C25H19N2.Pt/c2*1-4-12-22(13-5-1)26-20-21-11-10-18-25(19-21)27(23-14-6-2-7-15-23)24-16-8-3-9-17-24;/h2*1-10,12-20H;/q2*-1;+2/b2*26-20+;
InChIKeyMKQXZIPWSMZGEX-SOIGDHAUSA-N
XLogP13.41
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.96
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+)?
The IUPAC name of bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+) (CID 58251458) is bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+).
What is the SMILES notation for bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+)?
The canonical SMILES for bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+) is [Pt+2].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1/C=N/c1ccccc1.[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1/C=N/c1ccccc1.
What is the InChIKey of bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+)?
The InChIKey is MKQXZIPWSMZGEX-SOIGDHAUSA-N. The full InChI is InChI=1S/2C25H19N2.Pt/c2*1-4-12-22(13-5-1)26-20-21-11-10-18-25(19-21)27(23-14-6-2-7-15-23)24-16-8-3-9-17-24;/h2*1-10,12-20H;/q2*-1;+2/b2*26-20+;.
What are the key properties of bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+)?
bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+) has a molecular weight of 889.96 g/mol, XLogP of 13.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+) is sourced from PubChem (CID 58251458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).