tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+)

C164H264MoN4S8 — CID 141237212

IUPACtetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+)
SMILESCCCCCCCCCCCCCCc1ccccc1N(C(=S)[S-])c1ccccc1CCCCCCCCCCCCCC.CCCCCCCCCCCCCCc1ccccc1N(C(=S)[S-])c1ccccc1CCCCCCCCCCCCCC.CCCCCCCCCCCCCCc1ccccc1N(C(=S)[S-])c1ccccc1CCCCCCCCCCCCCC.CCCCCCCCCCCCCCc1ccccc1N(C(=S)[S-])c1ccccc1CCCCCCCCCCCCCC.[Mo+4]
InChIInChI=1S/4C41H67NS2.Mo/c4*1-3-5-7-9-11-13-15-17-19-21-23-25-31-37-33-27-29-35-39(37)42(41(43)44)40-36-30-28-34-38(40)32-26-24-22-20-18-16-14-12-10-8-6-4-2;/h4*27-30,33-36H,3-26,31-32H2,1-2H3,(H,43,44);/q;;;;+4/p-4
InChIKeyRAGMRDZTJDTULN-UHFFFAOYSA-J
MW2644.42 g/mol
LogP56.57
Rot. Bonds112

About tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+)

tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+) (PubChem CID 141237212) has the molecular formula C164H264MoN4S8 and a molecular weight of 2644.42 g/mol. Its IUPAC name is tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+).

Molecular Properties

Compound Nametetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+)
PubChem CID141237212
Molecular FormulaC164H264MoN4S8
Molecular Weight2644.42 g/mol
Exact Mass2643.76
IUPAC Nametetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+)
SMILESCCCCCCCCCCCCCCc1ccccc1N(C(=S)[S-])c1ccccc1CCCCCCCCCCCCCC.CCCCCCCCCCCCCCc1ccccc1N(C(=S)[S-])c1ccccc1CCCCCCCCCCCCCC.CCCCCCCCCCCCCCc1ccccc1N(C(=S)[S-])c1ccccc1CCCCCCCCCCCCCC.CCCCCCCCCCCCCCc1ccccc1N(C(=S)[S-])c1ccccc1CCCCCCCCCCCCCC.[Mo+4]
InChIInChI=1S/4C41H67NS2.Mo/c4*1-3-5-7-9-11-13-15-17-19-21-23-25-31-37-33-27-29-35-39(37)42(41(43)44)40-36-30-28-34-38(40)32-26-24-22-20-18-16-14-12-10-8-6-4-2;/h4*27-30,33-36H,3-26,31-32H2,1-2H3,(H,43,44);/q;;;;+4/p-4
InChIKeyRAGMRDZTJDTULN-UHFFFAOYSA-J
XLogP56.57
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds112
Heavy Atoms177
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002644.42
LogP ≤ 556.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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2-dodecyl-N,N-dimethylaniline;hydrobromide
CID 175216326
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CID 175213757
hydroxy N,N-bis(2-butylphenyl)carbamodithioate
CID 18000653
(2-heptylphenyl)-phenylcarbamic acid
CID 151491394
N,N-diethyl-2-heptadecylaniline
CID 175210337
N,N-diethyl-2-tetradecylaniline
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N,N-diethyl-2-octylaniline;hydrobromide
CID 175207974

Frequently Asked Questions

What is the IUPAC name of tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+)?
The IUPAC name of tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+) (CID 141237212) is tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+).
What is the SMILES notation for tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+)?
The canonical SMILES for tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+) is CCCCCCCCCCCCCCc1ccccc1N(C(=S)[S-])c1ccccc1CCCCCCCCCCCCCC.CCCCCCCCCCCCCCc1ccccc1N(C(=S)[S-])c1ccccc1CCCCCCCCCCCCCC.CCCCCCCCCCCCCCc1ccccc1N(C(=S)[S-])c1ccccc1CCCCCCCCCCCCCC.CCCCCCCCCCCCCCc1ccccc1N(C(=S)[S-])c1ccccc1CCCCCCCCCCCCCC.[Mo+4].
What is the InChIKey of tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+)?
The InChIKey is RAGMRDZTJDTULN-UHFFFAOYSA-J. The full InChI is InChI=1S/4C41H67NS2.Mo/c4*1-3-5-7-9-11-13-15-17-19-21-23-25-31-37-33-27-29-35-39(37)42(41(43)44)40-36-30-28-34-38(40)32-26-24-22-20-18-16-14-12-10-8-6-4-2;/h4*27-30,33-36H,3-26,31-32H2,1-2H3,(H,43,44);/q;;;;+4/p-4.
What are the key properties of tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+)?
tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+) has a molecular weight of 2644.42 g/mol, XLogP of 56.57, 112 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N,N-bis(2-tetradecylphenyl)carbamodithioate);molybdenum(4+) is sourced from PubChem (CID 141237212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).