dihydroxy(oxo)phosphanium;1-icosylanthracene

C34H52O3P+ — CID 87504793

IUPACdihydroxy(oxo)phosphanium;1-icosylanthracene
SMILESCCCCCCCCCCCCCCCCCCCCc1cccc2cc3ccccc3cc12.O=[P+](O)O
InChIInChI=1S/C34H50.HO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-26-22-27-33-28-31-24-20-21-25-32(31)29-34(30)33;1-4(2)3/h20-22,24-29H,2-19,23H2,1H3;(H-,1,2,3)/p+1
InChIKeyJYYSZOUNCLKBHT-UHFFFAOYSA-O
MW539.76 g/mol
LogP11.21
Rot. Bonds19

About dihydroxy(oxo)phosphanium;1-icosylanthracene

dihydroxy(oxo)phosphanium;1-icosylanthracene (PubChem CID 87504793) has the molecular formula C34H52O3P+ and a molecular weight of 539.76 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;1-icosylanthracene.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;1-icosylanthracene
PubChem CID87504793
Molecular FormulaC34H52O3P+
Molecular Weight539.76 g/mol
Exact Mass539.36
IUPAC Namedihydroxy(oxo)phosphanium;1-icosylanthracene
SMILESCCCCCCCCCCCCCCCCCCCCc1cccc2cc3ccccc3cc12.O=[P+](O)O
InChIInChI=1S/C34H50.HO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-26-22-27-33-28-31-24-20-21-25-32(31)29-34(30)33;1-4(2)3/h20-22,24-29H,2-19,23H2,1H3;(H-,1,2,3)/p+1
InChIKeyJYYSZOUNCLKBHT-UHFFFAOYSA-O
XLogP11.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.76
LogP ≤ 511.21
H-Bond Donors ≤ 52
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-dodecylpentacene
CID 141370235
lithium;1-hexylanthracene;hydride
CID 174350658
dihydroxy(oxo)phosphanium;1,2-dioctylbenzene
CID 67709665
1-nonylnaphthalene;sulfuric acid
CID 172712573
1-octadecylnaphthalene;sulfuric acid
CID 172709808
1-nonylnaphthalene;sulfuric acid
CID 154996092
3,8-didodecylnaphthalene-2-sulfonic acid
CID 101319611
1-tetradecylnaphthalene
CID 14402128
1-pentylnaphthalene;sulfuric acid
CID 172842201
3,5-dihexylnaphthalene-2-sulfonic acid
CID 101319397
sodium;hydride;1-nonylnaphthalene;sulfuric acid
CID 173181900
3,5-dioctadecylnaphthalene-2-carboxylic acid
CID 142668924

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;1-icosylanthracene?
The IUPAC name of dihydroxy(oxo)phosphanium;1-icosylanthracene (CID 87504793) is dihydroxy(oxo)phosphanium;1-icosylanthracene.
What is the SMILES notation for dihydroxy(oxo)phosphanium;1-icosylanthracene?
The canonical SMILES for dihydroxy(oxo)phosphanium;1-icosylanthracene is CCCCCCCCCCCCCCCCCCCCc1cccc2cc3ccccc3cc12.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;1-icosylanthracene?
The InChIKey is JYYSZOUNCLKBHT-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H50.HO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-26-22-27-33-28-31-24-20-21-25-32(31)29-34(30)33;1-4(2)3/h20-22,24-29H,2-19,23H2,1H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;1-icosylanthracene?
dihydroxy(oxo)phosphanium;1-icosylanthracene has a molecular weight of 539.76 g/mol, XLogP of 11.21, 19 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;1-icosylanthracene is sourced from PubChem (CID 87504793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).