(triphenyl-λ5-phosphanylidene)carbamic acid

C19H16NO2P — CID 19870342

IUPAC(triphenyl-λ5-phosphanylidene)carbamic acid
SMILESO=C(O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16NO2P/c21-19(22)20-23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)
InChIKeyZHOJZXHJCWAJMO-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.84
Rot. Bonds3

About (triphenyl-λ5-phosphanylidene)carbamic acid

(triphenyl-λ5-phosphanylidene)carbamic acid (PubChem CID 19870342) has the molecular formula C19H16NO2P and a molecular weight of 321.32 g/mol. Its IUPAC name is (triphenyl-λ5-phosphanylidene)carbamic acid.

Molecular Properties

Compound Name(triphenyl-λ5-phosphanylidene)carbamic acid
PubChem CID19870342
Molecular FormulaC19H16NO2P
Molecular Weight321.32 g/mol
Exact Mass321.09
IUPAC Name(triphenyl-λ5-phosphanylidene)carbamic acid
SMILESO=C(O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16NO2P/c21-19(22)20-23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)
InChIKeyZHOJZXHJCWAJMO-UHFFFAOYSA-N
XLogP3.84
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ5-phosphanylidene)carbamic acid?
The IUPAC name of (triphenyl-λ5-phosphanylidene)carbamic acid (CID 19870342) is (triphenyl-λ5-phosphanylidene)carbamic acid.
What is the SMILES notation for (triphenyl-λ5-phosphanylidene)carbamic acid?
The canonical SMILES for (triphenyl-λ5-phosphanylidene)carbamic acid is O=C(O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (triphenyl-λ5-phosphanylidene)carbamic acid?
The InChIKey is ZHOJZXHJCWAJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16NO2P/c21-19(22)20-23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22).
What are the key properties of (triphenyl-λ5-phosphanylidene)carbamic acid?
(triphenyl-λ5-phosphanylidene)carbamic acid has a molecular weight of 321.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ5-phosphanylidene)carbamic acid is sourced from PubChem (CID 19870342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).