CID 162460991

C32H32N2O4Si — CID 162460991

IUPAC—
SMILESO=C(O)c1ccc2c(c1)C(=O)OC21c2cc3c(cc2[Si]2(CCCCC2)c2cc4c(cc21)CCCN4)NCCC3
InChIInChI=1S/C32H32N2O4Si/c35-30(36)21-8-9-23-22(14-21)31(37)38-32(23)24-15-19-6-4-10-33-26(19)17-28(24)39(12-2-1-3-13-39)29-18-27-20(16-25(29)32)7-5-11-34-27/h8-9,14-18,33-34H,1-7,10-13H2,(H,35,36)
InChIKeyLHJUDPGYCHGPER-UHFFFAOYSA-N
MW536.70 g/mol
LogP4.62
Rot. Bonds1

About CID 162460991

CID 162460991 (PubChem CID 162460991) has the molecular formula C32H32N2O4Si and a molecular weight of 536.70 g/mol.

Molecular Properties

Compound NameCID 162460991
PubChem CID162460991
Molecular FormulaC32H32N2O4Si
Molecular Weight536.70 g/mol
Exact Mass536.21
IUPAC Name—
SMILESO=C(O)c1ccc2c(c1)C(=O)OC21c2cc3c(cc2[Si]2(CCCCC2)c2cc4c(cc21)CCCN4)NCCC3
InChIInChI=1S/C32H32N2O4Si/c35-30(36)21-8-9-23-22(14-21)31(37)38-32(23)24-15-19-6-4-10-33-26(19)17-28(24)39(12-2-1-3-13-39)29-18-27-20(16-25(29)32)7-5-11-34-27/h8-9,14-18,33-34H,1-7,10-13H2,(H,35,36)
InChIKeyLHJUDPGYCHGPER-UHFFFAOYSA-N
XLogP4.62
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.70
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162460991?
The IUPAC name of CID 162460991 (CID 162460991) is not available.
What is the SMILES notation for CID 162460991?
The canonical SMILES for CID 162460991 is O=C(O)c1ccc2c(c1)C(=O)OC21c2cc3c(cc2[Si]2(CCCCC2)c2cc4c(cc21)CCCN4)NCCC3.
What is the InChIKey of CID 162460991?
The InChIKey is LHJUDPGYCHGPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4Si/c35-30(36)21-8-9-23-22(14-21)31(37)38-32(23)24-15-19-6-4-10-33-26(19)17-28(24)39(12-2-1-3-13-39)29-18-27-20(16-25(29)32)7-5-11-34-27/h8-9,14-18,33-34H,1-7,10-13H2,(H,35,36).
What are the key properties of CID 162460991?
CID 162460991 has a molecular weight of 536.70 g/mol, XLogP of 4.62, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162460991 is sourced from PubChem (CID 162460991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).