bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile

C28H36N2O2S29 — CID 158804471

IUPACbis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile
SMILESCC(C)(C)Oc1ccc(C2(C#N)CCCC2)cc1.CC(C)(C)Oc1ccc(CC#N)cc1.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C16H21NO.C12H15NO.S29/c1-15(2,3)18-14-8-6-13(7-9-14)16(12-17)10-4-5-11-16;1-12(2,3)14-11-6-4-10(5-7-11)8-9-13;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6-9H,4-5,10-11H2,1-3H3;4-7H,8H2,1-3H3;
InChIKeyITWZJTRVZYTKKY-UHFFFAOYSA-N
MW1362.55 g/mol
LogP7.06
Rot. Bonds4

About bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile

bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile (PubChem CID 158804471) has the molecular formula C28H36N2O2S29 and a molecular weight of 1362.55 g/mol. Its IUPAC name is bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Namebis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile
PubChem CID158804471
Molecular FormulaC28H36N2O2S29
Molecular Weight1362.55 g/mol
Exact Mass1359.47
IUPAC Namebis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile
SMILESCC(C)(C)Oc1ccc(C2(C#N)CCCC2)cc1.CC(C)(C)Oc1ccc(CC#N)cc1.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C16H21NO.C12H15NO.S29/c1-15(2,3)18-14-8-6-13(7-9-14)16(12-17)10-4-5-11-16;1-12(2,3)14-11-6-4-10(5-7-11)8-9-13;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6-9H,4-5,10-11H2,1-3H3;4-7H,8H2,1-3H3;
InChIKeyITWZJTRVZYTKKY-UHFFFAOYSA-N
XLogP7.06
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001362.55
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile with MolForge

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Related Compounds

2-(4-methoxyphenyl)acetonitrile;4-(4-methoxyphenyl)oxane-4-carbonitrile
CID 158147510
1-[4-(bromomethyl)phenyl]cyclopentane-1-carbonitrile
CID 54110303
1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile
CID 28937692
2-[4-(2-methylbut-3-en-2-yloxy)phenyl]acetonitrile
CID 139639178
tert-butyl 4-(1-cyanocyclohexyl)benzoate
CID 71499786
tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile
CID 160790682
1-[4-(2-hydroxyethyl)phenyl]cyclobutane-1-carbonitrile
CID 84776318
2-(1,3-benzodioxol-5-yl)acetonitrile;1-(1,3-benzodioxol-5-yl)cyclobutane-1-carbonitrile
CID 159018024
2-[1-[4-(cyanomethyl)phenyl]cyclohexyl]acetic acid
CID 154100557
ethane;2-phenylacetonitrile;1-phenylcyclopropane-1-carbonitrile;1-phenylcyclopropane-1-carboxylic acid
CID 161210176
tert-butyl 4-cyano-4-[4-(hydroxymethyl)phenyl]piperidine-1-carboxylate;ethane
CID 144802299
1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile
CID 171675109

Frequently Asked Questions

What is the IUPAC name of bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile?
The IUPAC name of bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile (CID 158804471) is bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile?
The canonical SMILES for bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile is CC(C)(C)Oc1ccc(C2(C#N)CCCC2)cc1.CC(C)(C)Oc1ccc(CC#N)cc1.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.
What is the InChIKey of bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile?
The InChIKey is ITWZJTRVZYTKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO.C12H15NO.S29/c1-15(2,3)18-14-8-6-13(7-9-14)16(12-17)10-4-5-11-16;1-12(2,3)14-11-6-4-10(5-7-11)8-9-13;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6-9H,4-5,10-11H2,1-3H3;4-7H,8H2,1-3H3;.
What are the key properties of bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile?
bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile has a molecular weight of 1362.55 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetonitrile;1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 158804471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).