bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)

C32H50MoO4P2S4 — CID 87488768

IUPACbis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
SMILESCCCCCc1cccc(SP([O-])([O-])=S)c1CCCCC.CCCCCc1cccc(SP([O-])([O-])=S)c1CCCCC.[Mo+4]
InChIInChI=1S/2C16H27O2PS2.Mo/c2*1-3-5-7-10-14-11-9-13-16(21-19(17,18)20)15(14)12-8-6-4-2;/h2*9,11,13H,3-8,10,12H2,1-2H3,(H2,17,18,20);/q;;+4/p-4
InChIKeyLRVBWENGEGFJEI-UHFFFAOYSA-J
MW784.90 g/mol
LogP8.38
Rot. Bonds20

About bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)

bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+) (PubChem CID 87488768) has the molecular formula C32H50MoO4P2S4 and a molecular weight of 784.90 g/mol. Its IUPAC name is bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+).

Molecular Properties

Compound Namebis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
PubChem CID87488768
Molecular FormulaC32H50MoO4P2S4
Molecular Weight784.90 g/mol
Exact Mass786.11
IUPAC Namebis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
SMILESCCCCCc1cccc(SP([O-])([O-])=S)c1CCCCC.CCCCCc1cccc(SP([O-])([O-])=S)c1CCCCC.[Mo+4]
InChIInChI=1S/2C16H27O2PS2.Mo/c2*1-3-5-7-10-14-11-9-13-16(21-19(17,18)20)15(14)12-8-6-4-2;/h2*9,11,13H,3-8,10,12H2,1-2H3,(H2,17,18,20);/q;;+4/p-4
InChIKeyLRVBWENGEGFJEI-UHFFFAOYSA-J
XLogP8.38
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.90
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

zinc [2,4-di(nonyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 101318659
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2-dibutyl-3-dodecylbenzene
CID 91050964
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
zinc [2,5-di(tridecyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 101318752
zinc [2,5-di(heptadecyl)phenyl]sulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 101318848
(2,3-diheptylphenyl) carbamodithioate;molybdenum
CID 87835431
1-dodecyl-2-pentyl-3-propylbenzene
CID 91255551
zinc (2,3-diheptylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 68945518
zinc (2-methyl-3,4-dipropylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 67258684

Frequently Asked Questions

What is the IUPAC name of bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)?
The IUPAC name of bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+) (CID 87488768) is bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+).
What is the SMILES notation for bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)?
The canonical SMILES for bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+) is CCCCCc1cccc(SP([O-])([O-])=S)c1CCCCC.CCCCCc1cccc(SP([O-])([O-])=S)c1CCCCC.[Mo+4].
What is the InChIKey of bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)?
The InChIKey is LRVBWENGEGFJEI-UHFFFAOYSA-J. The full InChI is InChI=1S/2C16H27O2PS2.Mo/c2*1-3-5-7-10-14-11-9-13-16(21-19(17,18)20)15(14)12-8-6-4-2;/h2*9,11,13H,3-8,10,12H2,1-2H3,(H2,17,18,20);/q;;+4/p-4.
What are the key properties of bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+)?
bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+) has a molecular weight of 784.90 g/mol, XLogP of 8.38, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2,3-dipentylphenyl)sulfanyl-dioxido-sulfanylidene-λ5-phosphane);molybdenum(4+) is sourced from PubChem (CID 87488768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).