CID 150616662

C37H36N2O4Si — CID 150616662

IUPAC—
SMILESCOc1nc(-c2cccc3c2OCCO3)ccc1Nc1ccc(C(O[Si]C(C)(C)C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H36N2O4Si/c1-36(2,3)44-43-37(26-12-7-5-8-13-26,27-14-9-6-10-15-27)28-18-20-29(21-19-28)38-32-23-22-31(39-35(32)40-4)30-16-11-17-33-34(30)42-25-24-41-33/h5-23,38H,24-25H2,1-4H3
InChIKeyWUFVMXZHSINAIZ-UHFFFAOYSA-N
MW600.79 g/mol
LogP8.42
Rot. Bonds9

About CID 150616662

CID 150616662 (PubChem CID 150616662) has the molecular formula C37H36N2O4Si and a molecular weight of 600.79 g/mol.

Molecular Properties

Compound NameCID 150616662
PubChem CID150616662
Molecular FormulaC37H36N2O4Si
Molecular Weight600.79 g/mol
Exact Mass600.24
IUPAC Name—
SMILESCOc1nc(-c2cccc3c2OCCO3)ccc1Nc1ccc(C(O[Si]C(C)(C)C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H36N2O4Si/c1-36(2,3)44-43-37(26-12-7-5-8-13-26,27-14-9-6-10-15-27)28-18-20-29(21-19-28)38-32-23-22-31(39-35(32)40-4)30-16-11-17-33-34(30)42-25-24-41-33/h5-23,38H,24-25H2,1-4H3
InChIKeyWUFVMXZHSINAIZ-UHFFFAOYSA-N
XLogP8.42
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.79
LogP ≤ 58.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 150616662?
The IUPAC name of CID 150616662 (CID 150616662) is not available.
What is the SMILES notation for CID 150616662?
The canonical SMILES for CID 150616662 is COc1nc(-c2cccc3c2OCCO3)ccc1Nc1ccc(C(O[Si]C(C)(C)C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 150616662?
The InChIKey is WUFVMXZHSINAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2O4Si/c1-36(2,3)44-43-37(26-12-7-5-8-13-26,27-14-9-6-10-15-27)28-18-20-29(21-19-28)38-32-23-22-31(39-35(32)40-4)30-16-11-17-33-34(30)42-25-24-41-33/h5-23,38H,24-25H2,1-4H3.
What are the key properties of CID 150616662?
CID 150616662 has a molecular weight of 600.79 g/mol, XLogP of 8.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150616662 is sourced from PubChem (CID 150616662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).