CID 140690412

C42H32CoN7O2Si — CID 140690412

About CID 140690412

CID 140690412 (PubChem CID 140690412) has the molecular formula C42H32CoN7O2Si and a molecular weight of 753.78 g/mol.

Molecular Properties

• Compound Name: CID 140690412
• PubChem CID: 140690412
• Molecular Formula: C42H32CoN7O2Si
• Molecular Weight: 753.78 g/mol
• Exact Mass: 753.17
• IUPAC Name: —
• SMILES: Cc1cc(C)n(-c2coc3oc(N(c4ccccc4)c4nc5c(ccc6c7ccccc7n([Si](c7ccccc7)c7ccccc7)c65)n4C)nc23)n1.[Co]
• InChI: InChI=1S/C42H32N7O2Si.Co/c1-27-25-28(2)48(45-27)36-26-50-40-38(36)44-42(51-40)47(29-15-7-4-8-16-29)41-43-37-35(46(41)3)24-23-33-32-21-13-14-22-34(32)49(39(33)37)52(30-17-9-5-10-18-30)31-19-11-6-12-20-31;/h4-26H,1-3H3
• InChIKey: NNNYZSBWEXZOFG-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 82.98 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.78
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 140690412?

The IUPAC name of CID 140690412 (CID 140690412) is not available.

What is the SMILES notation for CID 140690412?

The canonical SMILES for CID 140690412 is Cc1cc(C)n(-c2coc3oc(N(c4ccccc4)c4nc5c(ccc6c7ccccc7n([Si](c7ccccc7)c7ccccc7)c65)n4C)nc23)n1.[Co].

What is the InChIKey of CID 140690412?

The InChIKey is NNNYZSBWEXZOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N7O2Si.Co/c1-27-25-28(2)48(45-27)36-26-50-40-38(36)44-42(51-40)47(29-15-7-4-8-16-29)41-43-37-35(46(41)3)24-23-33-32-21-13-14-22-34(32)49(39(33)37)52(30-17-9-5-10-18-30)31-19-11-6-12-20-31;/h4-26H,1-3H3;.

What are the key properties of CID 140690412?

CID 140690412 has a molecular weight of 753.78 g/mol, XLogP of 8.34, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for CID 140690412 is sourced from PubChem (CID 140690412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).