CID 153465681

C₅₀H₂₈N₆Pt — CID 153465681

About CID 153465681

CID 153465681 (PubChem CID 153465681) has the molecular formula C₅₀H₂₈N₆Pt and a molecular weight of 907.89 g/mol.

Molecular Properties

• Compound Name: CID 153465681
• PubChem CID: 153465681
• Molecular Formula: C₅₀H₂₈N₆Pt
• Molecular Weight: 907.89 g/mol
• Exact Mass: 907.20
• IUPAC Name: —
• SMILES: [Pt+2].[c-]1c(-n2c3[c-]c(-c4cnc5cc6ccccc6cc5n4)cnc3c3cc4ccccc4cc32)ccc2c3cc(-c4ccccc4)ccc3n(-c3ccccn3)c12
• InChI: InChI=1S/C50H28N6.Pt/c1-2-10-31(11-3-1)36-17-20-45-40(22-36)39-19-18-38(28-47(39)56(45)49-16-8-9-21-51-49)55-46-26-35-15-7-4-12-32(35)23-41(46)50-48(55)27-37(29-53-50)44-30-52-42-24-33-13-5-6-14-34(33)25-43(42)54-44;/h1-26,29-30H;/q-2;+2
• InChIKey: TWSLJGPBYYQGLE-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.89
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 153465681?

The IUPAC name of CID 153465681 (CID 153465681) is not available.

What is the SMILES notation for CID 153465681?

The canonical SMILES for CID 153465681 is [Pt+2].[c-]1c(-n2c3[c-]c(-c4cnc5cc6ccccc6cc5n4)cnc3c3cc4ccccc4cc32)ccc2c3cc(-c4ccccc4)ccc3n(-c3ccccn3)c12.

What is the InChIKey of CID 153465681?

The InChIKey is TWSLJGPBYYQGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6.Pt/c1-2-10-31(11-3-1)36-17-20-45-40(22-36)39-19-18-38(28-47(39)56(45)49-16-8-9-21-51-49)55-46-26-35-15-7-4-12-32(35)23-41(46)50-48(55)27-37(29-53-50)44-30-52-42-24-33-13-5-6-14-34(33)25-43(42)54-44;/h1-26,29-30H;/q-2;+2.

What are the key properties of CID 153465681?

CID 153465681 has a molecular weight of 907.89 g/mol, XLogP of 11.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 153465681 is sourced from PubChem (CID 153465681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153465681 — identifiers, structure, computed properties (public domain)

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