carbanide;gold(1+);methyl(diphenyl)phosphane

C14H16AuP — CID 87994939

IUPACcarbanide;gold(1+);methyl(diphenyl)phosphane
SMILESCP(c1ccccc1)c1ccccc1.[Au+].[CH3-]
InChIInChI=1S/C13H13P.CH3.Au/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;/h2-11H,1H3;1H3;/q;-1;+1
InChIKeyUMBPEVCWVWOBNQ-UHFFFAOYSA-N
MW412.22 g/mol
LogP3.20
Rot. Bonds2

About carbanide;gold(1+);methyl(diphenyl)phosphane

carbanide;gold(1+);methyl(diphenyl)phosphane (PubChem CID 87994939) has the molecular formula C14H16AuP and a molecular weight of 412.22 g/mol. Its IUPAC name is carbanide;gold(1+);methyl(diphenyl)phosphane.

Molecular Properties

Compound Namecarbanide;gold(1+);methyl(diphenyl)phosphane
PubChem CID87994939
Molecular FormulaC14H16AuP
Molecular Weight412.22 g/mol
Exact Mass412.07
IUPAC Namecarbanide;gold(1+);methyl(diphenyl)phosphane
SMILESCP(c1ccccc1)c1ccccc1.[Au+].[CH3-]
InChIInChI=1S/C13H13P.CH3.Au/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;/h2-11H,1H3;1H3;/q;-1;+1
InChIKeyUMBPEVCWVWOBNQ-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

borane;methyl(diphenyl)phosphane
CID 13485169
methyl(diphenyl)phosphane;palladium(2+);dichloride
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gold(1+);methyl(diphenyl)phosphane;trifluoromethane
CID 134981383
dichlororuthenium;bis(methyl(diphenyl)phosphane)
CID 175433637
CID 164679845
CID 164679845
ethyl(diphenyl)phosphane;methyl(diphenyl)phosphane
CID 158097838
methyl(diphenyl)phosphane;terephthalic acid
CID 175491126
CID 11278244
CID 11278244
CID 19922556
CID 19922556
2-[methyl(phenyl)phosphanyl]phenol
CID 11820610
dimethyl(phenyl)phosphane;gold(1+);azide
CID 166731380
[methyl(phenyl)phosphanyl]boranuide
CID 102383944

Frequently Asked Questions

What is the IUPAC name of carbanide;gold(1+);methyl(diphenyl)phosphane?
The IUPAC name of carbanide;gold(1+);methyl(diphenyl)phosphane (CID 87994939) is carbanide;gold(1+);methyl(diphenyl)phosphane.
What is the SMILES notation for carbanide;gold(1+);methyl(diphenyl)phosphane?
The canonical SMILES for carbanide;gold(1+);methyl(diphenyl)phosphane is CP(c1ccccc1)c1ccccc1.[Au+].[CH3-].
What is the InChIKey of carbanide;gold(1+);methyl(diphenyl)phosphane?
The InChIKey is UMBPEVCWVWOBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13P.CH3.Au/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;/h2-11H,1H3;1H3;/q;-1;+1.
What are the key properties of carbanide;gold(1+);methyl(diphenyl)phosphane?
carbanide;gold(1+);methyl(diphenyl)phosphane has a molecular weight of 412.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;gold(1+);methyl(diphenyl)phosphane is sourced from PubChem (CID 87994939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).