triphenyl(undec-10-enylimino)-λ5-phosphane

C29H36NP — CID 86099769

IUPACtriphenyl(undec-10-enylimino)-λ5-phosphane
SMILESC=CCCCCCCCCCN=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36NP/c1-2-3-4-5-6-7-8-9-19-26-30-31(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29/h2,10-18,20-25H,1,3-9,19,26H2
InChIKeyCVLLOZZWTXOXBD-UHFFFAOYSA-N
MW429.59 g/mol
LogP7.47
Rot. Bonds13

About triphenyl(undec-10-enylimino)-λ5-phosphane

triphenyl(undec-10-enylimino)-λ5-phosphane (PubChem CID 86099769) has the molecular formula C29H36NP and a molecular weight of 429.59 g/mol. Its IUPAC name is triphenyl(undec-10-enylimino)-λ5-phosphane.

Molecular Properties

Compound Nametriphenyl(undec-10-enylimino)-λ5-phosphane
PubChem CID86099769
Molecular FormulaC29H36NP
Molecular Weight429.59 g/mol
Exact Mass429.26
IUPAC Nametriphenyl(undec-10-enylimino)-λ5-phosphane
SMILESC=CCCCCCCCCCN=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36NP/c1-2-3-4-5-6-7-8-9-19-26-30-31(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29/h2,10-18,20-25H,1,3-9,19,26H2
InChIKeyCVLLOZZWTXOXBD-UHFFFAOYSA-N
XLogP7.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hept-6-enylbenzene
CID 15608161
triphenyl(undec-10-enyl)phosphanium
CID 3716115
N-oct-7-enylaniline
CID 101291024
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene
CID 132933253
N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide
CID 138969223
dec-9-enoxymethylbenzene
CID 91868068
dec-9-en-1-ol;phenylmethanol
CID 159433557
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
CID 21186888
CID 21186888

Frequently Asked Questions

What is the IUPAC name of triphenyl(undec-10-enylimino)-λ5-phosphane?
The IUPAC name of triphenyl(undec-10-enylimino)-λ5-phosphane (CID 86099769) is triphenyl(undec-10-enylimino)-λ5-phosphane.
What is the SMILES notation for triphenyl(undec-10-enylimino)-λ5-phosphane?
The canonical SMILES for triphenyl(undec-10-enylimino)-λ5-phosphane is C=CCCCCCCCCCN=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl(undec-10-enylimino)-λ5-phosphane?
The InChIKey is CVLLOZZWTXOXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36NP/c1-2-3-4-5-6-7-8-9-19-26-30-31(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29/h2,10-18,20-25H,1,3-9,19,26H2.
What are the key properties of triphenyl(undec-10-enylimino)-λ5-phosphane?
triphenyl(undec-10-enylimino)-λ5-phosphane has a molecular weight of 429.59 g/mol, XLogP of 7.47, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(undec-10-enylimino)-λ5-phosphane is sourced from PubChem (CID 86099769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).