methylidene(8,8,8-triphenyloctanoyl)phosphanium

C27H30OP+ — CID 154191945

IUPACmethylidene(8,8,8-triphenyloctanoyl)phosphanium
SMILESC=[PH+]C(=O)CCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29OP/c1-29-26(28)21-13-2-3-14-22-27(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25/h4-12,15-20H,1-3,13-14,21-22H2/p+1
InChIKeyCOOFQJKZRSPTSJ-UHFFFAOYSA-O
MW401.51 g/mol
LogP7.00
Rot. Bonds11

About methylidene(8,8,8-triphenyloctanoyl)phosphanium

methylidene(8,8,8-triphenyloctanoyl)phosphanium (PubChem CID 154191945) has the molecular formula C27H30OP+ and a molecular weight of 401.51 g/mol. Its IUPAC name is methylidene(8,8,8-triphenyloctanoyl)phosphanium.

Molecular Properties

Compound Namemethylidene(8,8,8-triphenyloctanoyl)phosphanium
PubChem CID154191945
Molecular FormulaC27H30OP+
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Namemethylidene(8,8,8-triphenyloctanoyl)phosphanium
SMILESC=[PH+]C(=O)CCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29OP/c1-29-26(28)21-13-2-3-14-22-27(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25/h4-12,15-20H,1-3,13-14,21-22H2/p+1
InChIKeyCOOFQJKZRSPTSJ-UHFFFAOYSA-O
XLogP7.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

phosphane;6,6,6-triphenylhexanoic acid
CID 175595654
13,13,13-triphenyltridecan-1-ol
CID 150406449
10,10,10-triphenyldecylphosphanium bromide
CID 69307814
13,13,13-triphenyltridecylphosphanium bromide
CID 71354528
carbonic acid;4,4,4-triphenylbutylphosphane
CID 173313082
7,7,7-triphenylheptane-1-sulfonic acid
CID 151892419
bromo(9,9,9-triphenylnonyl)phosphane
CID 139644220
14,14,14-triphenyltetradecylazanium bromide
CID 69305418
4,4,4-triphenylbutanoyl chloride
CID 15254182
10,10,10-triphenyldecylhydrazine
CID 150931504
CID 123237849
CID 123237849
4-(1,1-diphenyldecyl)phthalic acid
CID 151631540

Frequently Asked Questions

What is the IUPAC name of methylidene(8,8,8-triphenyloctanoyl)phosphanium?
The IUPAC name of methylidene(8,8,8-triphenyloctanoyl)phosphanium (CID 154191945) is methylidene(8,8,8-triphenyloctanoyl)phosphanium.
What is the SMILES notation for methylidene(8,8,8-triphenyloctanoyl)phosphanium?
The canonical SMILES for methylidene(8,8,8-triphenyloctanoyl)phosphanium is C=[PH+]C(=O)CCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methylidene(8,8,8-triphenyloctanoyl)phosphanium?
The InChIKey is COOFQJKZRSPTSJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H29OP/c1-29-26(28)21-13-2-3-14-22-27(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25/h4-12,15-20H,1-3,13-14,21-22H2/p+1.
What are the key properties of methylidene(8,8,8-triphenyloctanoyl)phosphanium?
methylidene(8,8,8-triphenyloctanoyl)phosphanium has a molecular weight of 401.51 g/mol, XLogP of 7.00, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene(8,8,8-triphenyloctanoyl)phosphanium is sourced from PubChem (CID 154191945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).