hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum

C30H47MoO2PS2 — CID 174164859

IUPAChydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum
SMILESCCCCCCCCCc1ccc(OP(O)(=S)Sc2ccc(CCCCCCCCC)cc2)cc1.[Mo]
InChIInChI=1S/C30H47O2PS2.Mo/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)32-33(31,34)35-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2;/h19-26H,3-18H2,1-2H3,(H,31,34);
InChIKeyJSTJAWILDFKTIT-UHFFFAOYSA-N
MW630.75 g/mol
LogP10.66
Rot. Bonds20

About hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum

hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum (PubChem CID 174164859) has the molecular formula C30H47MoO2PS2 and a molecular weight of 630.75 g/mol. Its IUPAC name is hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum.

Molecular Properties

Compound Namehydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum
PubChem CID174164859
Molecular FormulaC30H47MoO2PS2
Molecular Weight630.75 g/mol
Exact Mass632.18
IUPAC Namehydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum
SMILESCCCCCCCCCc1ccc(OP(O)(=S)Sc2ccc(CCCCCCCCC)cc2)cc1.[Mo]
InChIInChI=1S/C30H47O2PS2.Mo/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)32-33(31,34)35-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2;/h19-26H,3-18H2,1-2H3,(H,31,34);
InChIKeyJSTJAWILDFKTIT-UHFFFAOYSA-N
XLogP10.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 510.66
H-Bond Donors ≤ 51
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

(4-heptylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 88640500
(4-tridecylphenyl) dihydrogen phosphate
CID 151425347
bis(4-nonylphenoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
CID 13326367
(4-nonylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
CID 140845535
(4-dodecylphenyl) methyl hydrogen phosphate
CID 57162479
tris(4-hexadecylphenyl) phosphate
CID 139663142
tris((4-octylphenyl) butanoate);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173455063
benzylsulfanyl-bis(4-heptylphenoxy)-sulfanylidene-λ5-phosphane
CID 101318250
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
nonylbenzene;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173454942
nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 87186209
(4-decylphenyl) acetate
CID 57064765

Frequently Asked Questions

What is the IUPAC name of hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum?
The IUPAC name of hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum (CID 174164859) is hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum.
What is the SMILES notation for hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum?
The canonical SMILES for hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum is CCCCCCCCCc1ccc(OP(O)(=S)Sc2ccc(CCCCCCCCC)cc2)cc1.[Mo].
What is the InChIKey of hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum?
The InChIKey is JSTJAWILDFKTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47O2PS2.Mo/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)32-33(31,34)35-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2;/h19-26H,3-18H2,1-2H3,(H,31,34);.
What are the key properties of hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum?
hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum has a molecular weight of 630.75 g/mol, XLogP of 10.66, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(4-nonylphenoxy)-(4-nonylphenyl)sulfanyl-sulfanylidene-λ5-phosphane;molybdenum is sourced from PubChem (CID 174164859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).