CID 153495292

C₃₆H₂₄BN₃Pd — CID 153495292

About CID 153495292

CID 153495292 (PubChem CID 153495292) has the molecular formula C₃₆H₂₄BN₃Pd and a molecular weight of 615.84 g/mol.

Molecular Properties

• Compound Name: CID 153495292
• PubChem CID: 153495292
• Molecular Formula: C₃₆H₂₄BN₃Pd
• Molecular Weight: 615.84 g/mol
• Exact Mass: 615.11
• IUPAC Name: —
• SMILES: Cc1ccnc(-c2[c-]c3c(cc2)-c2ccccc2B2c4ccccc4-c4ccc(-c5cc(C)ccn5)[c-]c4N23)c1.[Pd+2]
• InChI: InChI=1S/C36H24BN3.Pd/c1-23-15-17-38-33(19-23)25-11-13-29-27-7-3-5-9-31(27)37-32-10-6-4-8-28(32)30-14-12-26(34-20-24(2)16-18-39-34)22-36(30)40(37)35(29)21-25;/h3-20H,1-2H3;/q-2;+2
• InChIKey: SAIJWPKAMFQPLO-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.84
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 153495292?

The IUPAC name of CID 153495292 (CID 153495292) is not available.

What is the SMILES notation for CID 153495292?

The canonical SMILES for CID 153495292 is Cc1ccnc(-c2[c-]c3c(cc2)-c2ccccc2B2c4ccccc4-c4ccc(-c5cc(C)ccn5)[c-]c4N23)c1.[Pd+2].

What is the InChIKey of CID 153495292?

The InChIKey is SAIJWPKAMFQPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24BN3.Pd/c1-23-15-17-38-33(19-23)25-11-13-29-27-7-3-5-9-31(27)37-32-10-6-4-8-28(32)30-14-12-26(34-20-24(2)16-18-39-34)22-36(30)40(37)35(29)21-25;/h3-20H,1-2H3;/q-2;+2.

What are the key properties of CID 153495292?

CID 153495292 has a molecular weight of 615.84 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 153495292 is sourced from PubChem (CID 153495292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153495292 — identifiers, structure, computed properties (public domain)

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