[chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol

C82H105ClN2O6PS6+ — CID 123612083

IUPAC[chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol
SMILESCC(C)N(C(C)C)[PH+](C)OCCSSCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCN(CC)CC.ClC(c1ccccc1)(c1ccccc1)c1ccccc1.OCCSSCCO.OCCSSCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H40NO2PS2.C23H24O2S2.C19H15Cl.C6H15N.C4H10O2S2/c1-25(2)31(26(3)4)34(5)33-22-24-36-35-23-21-32-30(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29;24-16-18-26-27-19-17-25-23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-7(5-2)6-3;5-1-3-7-8-4-2-6/h6-20,25-26H,21-24H2,1-5H3;1-15,24H,16-19H2;1-15H;4-6H2,1-3H3;5-6H,1-4H2/p+1
InChIKeyYPVMCJAWQHBIRL-UHFFFAOYSA-O
MW1473.58 g/mol
LogP20.47
Rot. Bonds36

About [chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol

[chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol (PubChem CID 123612083) has the molecular formula C82H105ClN2O6PS6+ and a molecular weight of 1473.58 g/mol. Its IUPAC name is [chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol.

Molecular Properties

Compound Name[chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol
PubChem CID123612083
Molecular FormulaC82H105ClN2O6PS6+
Molecular Weight1473.58 g/mol
Exact Mass1471.57
IUPAC Name[chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol
SMILESCC(C)N(C(C)C)[PH+](C)OCCSSCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCN(CC)CC.ClC(c1ccccc1)(c1ccccc1)c1ccccc1.OCCSSCCO.OCCSSCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H40NO2PS2.C23H24O2S2.C19H15Cl.C6H15N.C4H10O2S2/c1-25(2)31(26(3)4)34(5)33-22-24-36-35-23-21-32-30(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29;24-16-18-26-27-19-17-25-23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-7(5-2)6-3;5-1-3-7-8-4-2-6/h6-20,25-26H,21-24H2,1-5H3;1-15,24H,16-19H2;1-15H;4-6H2,1-3H3;5-6H,1-4H2/p+1
InChIKeyYPVMCJAWQHBIRL-UHFFFAOYSA-O
XLogP20.47
TPSA94.86 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds36
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001473.58
LogP ≤ 520.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol?
The IUPAC name of [chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol (CID 123612083) is [chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol.
What is the SMILES notation for [chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol?
The canonical SMILES for [chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol is CC(C)N(C(C)C)[PH+](C)OCCSSCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.CCN(CC)CC.ClC(c1ccccc1)(c1ccccc1)c1ccccc1.OCCSSCCO.OCCSSCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol?
The InChIKey is YPVMCJAWQHBIRL-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H40NO2PS2.C23H24O2S2.C19H15Cl.C6H15N.C4H10O2S2/c1-25(2)31(26(3)4)34(5)33-22-24-36-35-23-21-32-30(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29;24-16-18-26-27-19-17-25-23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-7(5-2)6-3;5-1-3-7-8-4-2-6/h6-20,25-26H,21-24H2,1-5H3;1-15,24H,16-19H2;1-15H;4-6H2,1-3H3;5-6H,1-4H2/p+1.
What are the key properties of [chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol?
[chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol has a molecular weight of 1473.58 g/mol, XLogP of 20.47, 36 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(diphenyl)methyl]benzene;N,N-diethylethanamine;[di(propan-2-yl)amino]-methyl-[2-(2-trityloxyethyldisulfanyl)ethoxy]phosphanium;2-(2-hydroxyethyldisulfanyl)ethanol;2-(2-trityloxyethyldisulfanyl)ethanol is sourced from PubChem (CID 123612083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).