CID 165384604

C42H37N5Pt — CID 165384604

About CID 165384604

CID 165384604 (PubChem CID 165384604) has the molecular formula C42H37N5Pt and a molecular weight of 806.87 g/mol.

Molecular Properties

• Compound Name: CID 165384604
• PubChem CID: 165384604
• Molecular Formula: C42H37N5Pt
• Molecular Weight: 806.87 g/mol
• Exact Mass: 806.27
• IUPAC Name: —
• SMILES: CN1C=CN(c2[c-]c(C3(C)c4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4-n4c5ccccc5c5cccc3c54)cc(C(C)(C)C)c2)[CH-]1.[Pt+4]
• InChI: InChI=1S/C42H37N5.Pt/c1-41(2,3)28-22-29(24-31(23-28)45-21-20-43(5)26-45)42(4)34-14-11-13-33-32-12-7-8-15-36(32)47(40(33)34)37-19-18-30(25-35(37)42)46-27-44(6)38-16-9-10-17-39(38)46;/h7-23,26-27H,1-6H3;/q-4;+4
• InChIKey: XPQIDXCSBSHYCG-UHFFFAOYSA-N
• XLogP: 9.40
• 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	806.87
LogP ≤ 5	9.40
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 165384604?

The IUPAC name of CID 165384604 (CID 165384604) is not available.

What is the SMILES notation for CID 165384604?

The canonical SMILES for CID 165384604 is CN1C=CN(c2[c-]c(C3(C)c4[c-]c(N5[CH-]N(C)c6ccccc65)ccc4-n4c5ccccc5c5cccc3c54)cc(C(C)(C)C)c2)[CH-]1.[Pt+4].

What is the InChIKey of CID 165384604?

The InChIKey is XPQIDXCSBSHYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N5.Pt/c1-41(2,3)28-22-29(24-31(23-28)45-21-20-43(5)26-45)42(4)34-14-11-13-33-32-12-7-8-15-36(32)47(40(33)34)37-19-18-30(25-35(37)42)46-27-44(6)38-16-9-10-17-39(38)46;/h7-23,26-27H,1-6H3;/q-4;+4.

What are the key properties of CID 165384604?

CID 165384604 has a molecular weight of 806.87 g/mol, XLogP of 9.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 165384604 is sourced from PubChem (CID 165384604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).