6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)

C25H20N4Pt — CID 58704130

About 6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)

6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) (PubChem CID 58704130) has the molecular formula C25H20N4Pt and a molecular weight of 571.54 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+).

Molecular Properties

• Compound Name: 6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
• PubChem CID: 58704130
• Molecular Formula: C25H20N4Pt
• Molecular Weight: 571.54 g/mol
• Exact Mass: 571.13
• IUPAC Name: 6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)
• SMILES: [Pt+2].[c-]1c(N(c2ccccc2)c2cccc(C3=NCCC3)n2)cccc1-n1[c-]ccc1
• InChI: InChI=1S/C25H20N4.Pt/c1-2-9-20(10-3-1)29(22-12-6-11-21(19-22)28-17-4-5-18-28)25-15-7-13-24(27-25)23-14-8-16-26-23;/h1-7,9-13,15,17H,8,14,16H2;/q-2;+2
• InChIKey: JUXLSPIQYUCICN-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 33.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.54
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

The IUPAC name of 6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) (CID 58704130) is 6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+).

What is the SMILES notation for 6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

The canonical SMILES for 6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) is [Pt+2].[c-]1c(N(c2ccccc2)c2cccc(C3=NCCC3)n2)cccc1-n1[c-]ccc1.

What is the InChIKey of 6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

The InChIKey is JUXLSPIQYUCICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4.Pt/c1-2-9-20(10-3-1)29(22-12-6-11-21(19-22)28-17-4-5-18-28)25-15-7-13-24(27-25)23-14-8-16-26-23;/h1-7,9-13,15,17H,8,14,16H2;/q-2;+2.

What are the key properties of 6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+)?

6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) has a molecular weight of 571.54 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,4-dihydro-2H-pyrrol-5-yl)-N-phenyl-N-[3-(2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 58704130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).