CID 57117048

C30H31N2Si — CID 57117048

IUPAC—
SMILES[Si]CC(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H31N2Si/c33-25-30(31(21-26-13-5-1-6-14-26)22-27-15-7-2-8-16-27)32(23-28-17-9-3-10-18-28)24-29-19-11-4-12-20-29/h1-20,30H,21-25H2
InChIKeyQZSPILLHMZZHFU-UHFFFAOYSA-N
MW447.68 g/mol
LogP6.30
Rot. Bonds11

About CID 57117048

CID 57117048 (PubChem CID 57117048) has the molecular formula C30H31N2Si and a molecular weight of 447.68 g/mol.

Molecular Properties

Compound NameCID 57117048
PubChem CID57117048
Molecular FormulaC30H31N2Si
Molecular Weight447.68 g/mol
Exact Mass447.23
IUPAC Name—
SMILES[Si]CC(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H31N2Si/c33-25-30(31(21-26-13-5-1-6-14-26)22-27-15-7-2-8-16-27)32(23-28-17-9-3-10-18-28)24-29-19-11-4-12-20-29/h1-20,30H,21-25H2
InChIKeyQZSPILLHMZZHFU-UHFFFAOYSA-N
XLogP6.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.68
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 10754456
N,N-dibenzyl-1,1-diethoxymethanamine
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Frequently Asked Questions

What is the IUPAC name of CID 57117048?
The IUPAC name of CID 57117048 (CID 57117048) is not available.
What is the SMILES notation for CID 57117048?
The canonical SMILES for CID 57117048 is [Si]CC(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of CID 57117048?
The InChIKey is QZSPILLHMZZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N2Si/c33-25-30(31(21-26-13-5-1-6-14-26)22-27-15-7-2-8-16-27)32(23-28-17-9-3-10-18-28)24-29-19-11-4-12-20-29/h1-20,30H,21-25H2.
What are the key properties of CID 57117048?
CID 57117048 has a molecular weight of 447.68 g/mol, XLogP of 6.30, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57117048 is sourced from PubChem (CID 57117048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).