CID 163939533

C36H34B2N2Si2- — CID 163939533

About CID 163939533

CID 163939533 (PubChem CID 163939533) has the molecular formula C36H34B2N2Si2- and a molecular weight of 572.48 g/mol.

Molecular Properties

• Compound Name: CID 163939533
• PubChem CID: 163939533
• Molecular Formula: C36H34B2N2Si2-
• Molecular Weight: 572.48 g/mol
• Exact Mass: 572.25
• IUPAC Name: —
• SMILES: CN1c2ccccc2B2c3ccccc3[Si-](C)(C)c3c2c1c1c2c3N(C)c3ccccc3B2c2ccccc2[Si]1(C)C
• InChI: InChI=1S/C36H34B2N2Si2/c1-39-27-19-11-7-15-23(27)37-25-17-9-14-22-30(25)42(5,6)36-31(37)33(39)35-32-34(36)40(2)28-20-12-8-16-24(28)38(32)26-18-10-13-21-29(26)41(35,3)4/h7-22H,1-6H3/q-1
• InChIKey: LCRCPDGNCGYWMG-UHFFFAOYSA-N
• XLogP: 1.15
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.48
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 163939533?

The IUPAC name of CID 163939533 (CID 163939533) is not available.

What is the SMILES notation for CID 163939533?

The canonical SMILES for CID 163939533 is CN1c2ccccc2B2c3ccccc3[Si-](C)(C)c3c2c1c1c2c3N(C)c3ccccc3B2c2ccccc2[Si]1(C)C.

What is the InChIKey of CID 163939533?

The InChIKey is LCRCPDGNCGYWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34B2N2Si2/c1-39-27-19-11-7-15-23(27)37-25-17-9-14-22-30(25)42(5,6)36-31(37)33(39)35-32-34(36)40(2)28-20-12-8-16-24(28)38(32)26-18-10-13-21-29(26)41(35,3)4/h7-22H,1-6H3/q-1.

What are the key properties of CID 163939533?

CID 163939533 has a molecular weight of 572.48 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 163939533 is sourced from PubChem (CID 163939533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).