3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)

C34H27N3Pt — CID 153430146

IUPAC3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)
SMILESC/N=C(/c1[c-]c(N(c2[c-]c(/C(=N/C)c3ccccc3)ccc2)c2ccccc2)ccc1)c1ccccc1.[Pt+2]
InChIInChI=1S/C34H27N3.Pt/c1-35-33(26-14-6-3-7-15-26)28-18-12-22-31(24-28)37(30-20-10-5-11-21-30)32-23-13-19-29(25-32)34(36-2)27-16-8-4-9-17-27;/h3-23H,1-2H3;/q-2;+2/b35-33+,36-34+;
InChIKeyMYKAHYPIRFTVPH-KCINWWGPSA-N
MW672.69 g/mol
LogP7.69
Rot. Bonds7

About 3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)

3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+) (PubChem CID 153430146) has the molecular formula C34H27N3Pt and a molecular weight of 672.69 g/mol. Its IUPAC name is 3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+).

Molecular Properties

Compound Name3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)
PubChem CID153430146
Molecular FormulaC34H27N3Pt
Molecular Weight672.69 g/mol
Exact Mass672.19
IUPAC Name3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)
SMILESC/N=C(/c1[c-]c(N(c2[c-]c(/C(=N/C)c3ccccc3)ccc2)c2ccccc2)ccc1)c1ccccc1.[Pt+2]
InChIInChI=1S/C34H27N3.Pt/c1-35-33(26-14-6-3-7-15-26)28-18-12-22-31(24-28)37(30-20-10-5-11-21-30)32-23-13-19-29(25-32)34(36-2)27-16-8-4-9-17-27;/h3-23H,1-2H3;/q-2;+2/b35-33+,36-34+;
InChIKeyMYKAHYPIRFTVPH-KCINWWGPSA-N
XLogP7.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.69
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)?
The IUPAC name of 3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+) (CID 153430146) is 3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+).
What is the SMILES notation for 3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)?
The canonical SMILES for 3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+) is C/N=C(/c1[c-]c(N(c2[c-]c(/C(=N/C)c3ccccc3)ccc2)c2ccccc2)ccc1)c1ccccc1.[Pt+2].
What is the InChIKey of 3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)?
The InChIKey is MYKAHYPIRFTVPH-KCINWWGPSA-N. The full InChI is InChI=1S/C34H27N3.Pt/c1-35-33(26-14-6-3-7-15-26)28-18-12-22-31(24-28)37(30-20-10-5-11-21-30)32-23-13-19-29(25-32)34(36-2)27-16-8-4-9-17-27;/h3-23H,1-2H3;/q-2;+2/b35-33+,36-34+;.
What are the key properties of 3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+)?
3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+) has a molecular weight of 672.69 g/mol, XLogP of 7.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methyl-C-phenylcarbonimidoyl)-N-[3-(N-methyl-C-phenylcarbonimidoyl)benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;platinum(2+) is sourced from PubChem (CID 153430146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).