bis(2-diphenylphosphanylethyl)carbamic acid

C29H29NO2P2 — CID 88908056

IUPACbis(2-diphenylphosphanylethyl)carbamic acid
SMILESO=C(O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NO2P2/c31-29(32)30(21-23-33(25-13-5-1-6-14-25)26-15-7-2-8-16-26)22-24-34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2,(H,31,32)
InChIKeyYGTKPUCKXBMXPX-UHFFFAOYSA-N
MW485.50 g/mol
LogP5.23
Rot. Bonds10

About bis(2-diphenylphosphanylethyl)carbamic acid

bis(2-diphenylphosphanylethyl)carbamic acid (PubChem CID 88908056) has the molecular formula C29H29NO2P2 and a molecular weight of 485.50 g/mol. Its IUPAC name is bis(2-diphenylphosphanylethyl)carbamic acid.

Molecular Properties

Compound Namebis(2-diphenylphosphanylethyl)carbamic acid
PubChem CID88908056
Molecular FormulaC29H29NO2P2
Molecular Weight485.50 g/mol
Exact Mass485.17
IUPAC Namebis(2-diphenylphosphanylethyl)carbamic acid
SMILESO=C(O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NO2P2/c31-29(32)30(21-23-33(25-13-5-1-6-14-25)26-15-7-2-8-16-26)22-24-34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2,(H,31,32)
InChIKeyYGTKPUCKXBMXPX-UHFFFAOYSA-N
XLogP5.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.50
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(2-diphenylphosphanylethyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-diphenylphosphanylethyl)carbamic acid?
The IUPAC name of bis(2-diphenylphosphanylethyl)carbamic acid (CID 88908056) is bis(2-diphenylphosphanylethyl)carbamic acid.
What is the SMILES notation for bis(2-diphenylphosphanylethyl)carbamic acid?
The canonical SMILES for bis(2-diphenylphosphanylethyl)carbamic acid is O=C(O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2-diphenylphosphanylethyl)carbamic acid?
The InChIKey is YGTKPUCKXBMXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO2P2/c31-29(32)30(21-23-33(25-13-5-1-6-14-25)26-15-7-2-8-16-26)22-24-34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2,(H,31,32).
What are the key properties of bis(2-diphenylphosphanylethyl)carbamic acid?
bis(2-diphenylphosphanylethyl)carbamic acid has a molecular weight of 485.50 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-diphenylphosphanylethyl)carbamic acid is sourced from PubChem (CID 88908056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).