12,12-diphenyldodecyl(trihydroxy)phosphanium

C24H36O3P+ — CID 66694525

IUPAC12,12-diphenyldodecyl(trihydroxy)phosphanium
SMILESO[P+](O)(O)CCCCCCCCCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H36O3P/c25-28(26,27)21-15-7-5-3-1-2-4-6-14-20-24(22-16-10-8-11-17-22)23-18-12-9-13-19-23/h8-13,16-19,24-27H,1-7,14-15,20-21H2/q+1
InChIKeyNPQSFIPWSCXSHY-UHFFFAOYSA-N
MW403.52 g/mol
LogP6.46
Rot. Bonds14

About 12,12-diphenyldodecyl(trihydroxy)phosphanium

12,12-diphenyldodecyl(trihydroxy)phosphanium (PubChem CID 66694525) has the molecular formula C24H36O3P+ and a molecular weight of 403.52 g/mol. Its IUPAC name is 12,12-diphenyldodecyl(trihydroxy)phosphanium.

Molecular Properties

Compound Name12,12-diphenyldodecyl(trihydroxy)phosphanium
PubChem CID66694525
Molecular FormulaC24H36O3P+
Molecular Weight403.52 g/mol
Exact Mass403.24
IUPAC Name12,12-diphenyldodecyl(trihydroxy)phosphanium
SMILESO[P+](O)(O)CCCCCCCCCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H36O3P/c25-28(26,27)21-15-7-5-3-1-2-4-6-14-20-24(22-16-10-8-11-17-22)23-18-12-9-13-19-23/h8-13,16-19,24-27H,1-7,14-15,20-21H2/q+1
InChIKeyNPQSFIPWSCXSHY-UHFFFAOYSA-N
XLogP6.46
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,6-diphenylhexyl dihydrogen phosphate
CID 139923067
2-(8,8-diphenyloctyl)phenol
CID 66867292
2-(7,7-diphenylheptyl)phenol
CID 66866981
2-acetyl-10,10-diphenyldecanoic acid
CID 69432252
19,19-diphenylnonadecyl dihydrogen phosphite
CID 19792274
8,8-diphenyloctyl(oxo)phosphanium
CID 173421020
4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol
CID 57252582
1,4,4-triphenylbutan-1-ol
CID 141326006
1-phenyldecane-1,10-diol
CID 15255187
4-(5,5-diphenylpentyl)phenol
CID 66865945
(1R)-1-phenyloctan-1-ol
CID 12794259
6-chloro-1-phenylhexan-1-ol
CID 10398289

Frequently Asked Questions

What is the IUPAC name of 12,12-diphenyldodecyl(trihydroxy)phosphanium?
The IUPAC name of 12,12-diphenyldodecyl(trihydroxy)phosphanium (CID 66694525) is 12,12-diphenyldodecyl(trihydroxy)phosphanium.
What is the SMILES notation for 12,12-diphenyldodecyl(trihydroxy)phosphanium?
The canonical SMILES for 12,12-diphenyldodecyl(trihydroxy)phosphanium is O[P+](O)(O)CCCCCCCCCCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 12,12-diphenyldodecyl(trihydroxy)phosphanium?
The InChIKey is NPQSFIPWSCXSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O3P/c25-28(26,27)21-15-7-5-3-1-2-4-6-14-20-24(22-16-10-8-11-17-22)23-18-12-9-13-19-23/h8-13,16-19,24-27H,1-7,14-15,20-21H2/q+1.
What are the key properties of 12,12-diphenyldodecyl(trihydroxy)phosphanium?
12,12-diphenyldodecyl(trihydroxy)phosphanium has a molecular weight of 403.52 g/mol, XLogP of 6.46, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-diphenyldodecyl(trihydroxy)phosphanium is sourced from PubChem (CID 66694525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).