CID 165384566

C42H43N5Pt — CID 165384566

About CID 165384566

CID 165384566 (PubChem CID 165384566) has the molecular formula C42H43N5Pt and a molecular weight of 812.92 g/mol.

Molecular Properties

• Compound Name: CID 165384566
• PubChem CID: 165384566
• Molecular Formula: C42H43N5Pt
• Molecular Weight: 812.92 g/mol
• Exact Mass: 812.32
• IUPAC Name: —
• SMILES: CC1=C(C)N(c2[c-]c3c(cc2)-n2c4ccccc4c4cccc(c42)C3(C)c2[c-]c(N3[CH-]N(C)C(C)=C3C)cc(C(C)(C)C)c2)[CH-]N1C.[Pt+4]
• InChI: InChI=1S/C42H43N5.Pt/c1-26-28(3)45(24-43(26)9)32-18-19-39-37(23-32)42(8,36-16-13-15-35-34-14-11-12-17-38(34)47(39)40(35)36)31-20-30(41(5,6)7)21-33(22-31)46-25-44(10)27(2)29(46)4;/h11-21,24-25H,1-10H3;/q-4;+4
• InChIKey: NXUULPMGXQOKAV-UHFFFAOYSA-N
• XLogP: 9.59
• TPSA: 17.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.92
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 165384566?

The IUPAC name of CID 165384566 (CID 165384566) is not available.

What is the SMILES notation for CID 165384566?

The canonical SMILES for CID 165384566 is CC1=C(C)N(c2[c-]c3c(cc2)-n2c4ccccc4c4cccc(c42)C3(C)c2[c-]c(N3[CH-]N(C)C(C)=C3C)cc(C(C)(C)C)c2)[CH-]N1C.[Pt+4].

What is the InChIKey of CID 165384566?

The InChIKey is NXUULPMGXQOKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43N5.Pt/c1-26-28(3)45(24-43(26)9)32-18-19-39-37(23-32)42(8,36-16-13-15-35-34-14-11-12-17-38(34)47(39)40(35)36)31-20-30(41(5,6)7)21-33(22-31)46-25-44(10)27(2)29(46)4;/h11-21,24-25H,1-10H3;/q-4;+4.

What are the key properties of CID 165384566?

CID 165384566 has a molecular weight of 812.92 g/mol, XLogP of 9.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 165384566 is sourced from PubChem (CID 165384566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).