isocyanato(triphenyl)plumbane

C19H15NOPb — CID 16694635

IUPACisocyanato(triphenyl)plumbane
SMILESO=C=N[Pb](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.CNO.Pb/c3*1-2-4-6-5-3-1;2-1-3;/h3*1-5H;;/q;;;-1;+1
InChIKeyHKBODZNPDFKEFY-UHFFFAOYSA-N
MW480.54 g/mol
LogP1.99
Rot. Bonds4

About isocyanato(triphenyl)plumbane

isocyanato(triphenyl)plumbane (PubChem CID 16694635) has the molecular formula C19H15NOPb and a molecular weight of 480.54 g/mol. Its IUPAC name is isocyanato(triphenyl)plumbane.

Molecular Properties

Compound Nameisocyanato(triphenyl)plumbane
PubChem CID16694635
Molecular FormulaC19H15NOPb
Molecular Weight480.54 g/mol
Exact Mass481.09
IUPAC Nameisocyanato(triphenyl)plumbane
SMILESO=C=N[Pb](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.CNO.Pb/c3*1-2-4-6-5-3-1;2-1-3;/h3*1-5H;;/q;;;-1;+1
InChIKeyHKBODZNPDFKEFY-UHFFFAOYSA-N
XLogP1.99
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

Triphenylantimony
CID 11777
Triphenylbismuth
CID 11774
Fentin
CID 91481
Chlorotriphenylplumbane
CID 223972
Stibine oxide, triphenyl-
CID 78497
Triphenylstannyl
CID 5357402
Cyanotriphenylboranuide
CID 151925
Bromo(triphenyl)plumbane
CID 285095
Stannane, isothiocyanatotriphenyl-
CID 121244
Gallium, triphenyl-
CID 136854
Triphenylplumbanol
CID 6328765
Methyl(triphenyl)plumbane
CID 4519043

Frequently Asked Questions

What is the IUPAC name of isocyanato(triphenyl)plumbane?
The IUPAC name of isocyanato(triphenyl)plumbane (CID 16694635) is isocyanato(triphenyl)plumbane.
What is the SMILES notation for isocyanato(triphenyl)plumbane?
The canonical SMILES for isocyanato(triphenyl)plumbane is O=C=N[Pb](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of isocyanato(triphenyl)plumbane?
The InChIKey is HKBODZNPDFKEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.CNO.Pb/c3*1-2-4-6-5-3-1;2-1-3;/h3*1-5H;;/q;;;-1;+1.
What are the key properties of isocyanato(triphenyl)plumbane?
isocyanato(triphenyl)plumbane has a molecular weight of 480.54 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanato(triphenyl)plumbane is sourced from PubChem (CID 16694635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).