CID 154610877

C₄₂H₂₄N₄OPd — CID 154610877

About CID 154610877

CID 154610877 (PubChem CID 154610877) has the molecular formula C₄₂H₂₄N₄OPd and a molecular weight of 707.10 g/mol.

Molecular Properties

• Compound Name: CID 154610877
• PubChem CID: 154610877
• Molecular Formula: C₄₂H₂₄N₄OPd
• Molecular Weight: 707.10 g/mol
• Exact Mass: 706.10
• IUPAC Name: —
• SMILES: [Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1nc3ccccc3n1c1c(-c3ccccc3)cccc21
• InChI: InChI=1S/C42H24N4O.Pd/c1-2-11-27(12-3-1)30-14-10-15-34-31-22-20-28(25-35(31)42-44-36-16-5-7-18-38(36)46(42)41(30)34)47-29-21-23-33-32-13-4-6-17-37(32)45(39(33)26-29)40-19-8-9-24-43-40;/h1-24H;/q-2;+2
• InChIKey: CTCMSMSVTKUZAP-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.10
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 154610877?

The IUPAC name of CID 154610877 (CID 154610877) is not available.

What is the SMILES notation for CID 154610877?

The canonical SMILES for CID 154610877 is [Pd+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1c1nc3ccccc3n1c1c(-c3ccccc3)cccc21.

What is the InChIKey of CID 154610877?

The InChIKey is CTCMSMSVTKUZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O.Pd/c1-2-11-27(12-3-1)30-14-10-15-34-31-22-20-28(25-35(31)42-44-36-16-5-7-18-38(36)46(42)41(30)34)47-29-21-23-33-32-13-4-6-17-37(32)45(39(33)26-29)40-19-8-9-24-43-40;/h1-24H;/q-2;+2.

What are the key properties of CID 154610877?

CID 154610877 has a molecular weight of 707.10 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 154610877 is sourced from PubChem (CID 154610877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154610877 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.