CID 89480503

C32H32AsN2O3 — CID 89480503

IUPAC—
SMILESNc1ccccc1C(C[C@H](O)C[As]c1ccc(N2CCOCC2=O)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32AsN2O3/c34-30-14-8-7-13-29(30)32(24-9-3-1-4-10-24,25-11-5-2-6-12-25)21-28(36)22-33-26-15-17-27(18-16-26)35-19-20-38-23-31(35)37/h1-18,28,36H,19-23,34H2/t28-/m0/s1
InChIKeyCFEMXEWDCOPQPV-NDEPHWFRSA-N
MW567.54 g/mol
LogP4.17
Rot. Bonds9

About CID 89480503

CID 89480503 (PubChem CID 89480503) has the molecular formula C32H32AsN2O3 and a molecular weight of 567.54 g/mol.

Molecular Properties

Compound NameCID 89480503
PubChem CID89480503
Molecular FormulaC32H32AsN2O3
Molecular Weight567.54 g/mol
Exact Mass567.16
IUPAC Name—
SMILESNc1ccccc1C(C[C@H](O)C[As]c1ccc(N2CCOCC2=O)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32AsN2O3/c34-30-14-8-7-13-29(30)32(24-9-3-1-4-10-24,25-11-5-2-6-12-25)21-28(36)22-33-26-15-17-27(18-16-26)35-19-20-38-23-31(35)37/h1-18,28,36H,19-23,34H2/t28-/m0/s1
InChIKeyCFEMXEWDCOPQPV-NDEPHWFRSA-N
XLogP4.17
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 89480503?
The IUPAC name of CID 89480503 (CID 89480503) is not available.
What is the SMILES notation for CID 89480503?
The canonical SMILES for CID 89480503 is Nc1ccccc1C(C[C@H](O)C[As]c1ccc(N2CCOCC2=O)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 89480503?
The InChIKey is CFEMXEWDCOPQPV-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H32AsN2O3/c34-30-14-8-7-13-29(30)32(24-9-3-1-4-10-24,25-11-5-2-6-12-25)21-28(36)22-33-26-15-17-27(18-16-26)35-19-20-38-23-31(35)37/h1-18,28,36H,19-23,34H2/t28-/m0/s1.
What are the key properties of CID 89480503?
CID 89480503 has a molecular weight of 567.54 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89480503 is sourced from PubChem (CID 89480503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).