cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium

C108H105O3S3+3 — CID 159110729

IUPACcyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium
SMILESc1ccc2c([S+](c3ccc(OCC4CCCCC4)c4ccccc34)C3CCCCC3)cccc2c1.c1ccc2c([S+](c3cccc4ccccc34)c3ccc(OCC4CCCCC4)c4ccccc34)cccc2c1.c1ccc2cc([S+](c3ccc4ccccc4c3)c3ccc(OCCC4CCCCC4)c4ccccc34)ccc2c1
InChIInChI=1S/C38H35OS.C37H33OS.C33H37OS/c1-2-10-28(11-3-1)24-25-39-37-22-23-38(36-17-9-8-16-35(36)37)40(33-20-18-29-12-4-6-14-31(29)26-33)34-21-19-30-13-5-7-15-32(30)27-34;1-2-12-27(13-3-1)26-38-34-24-25-37(33-21-9-8-20-32(33)34)39(35-22-10-16-28-14-4-6-18-30(28)35)36-23-11-17-29-15-5-7-19-31(29)36;1-3-12-25(13-4-1)24-34-31-22-23-33(30-20-10-9-19-29(30)31)35(27-16-5-2-6-17-27)32-21-11-15-26-14-7-8-18-28(26)32/h4-9,12-23,26-28H,1-3,10-11,24-25H2;4-11,14-25,27H,1-3,12-13,26H2;7-11,14-15,18-23,25,27H,1-6,12-13,16-17,24H2/q3*+1
InChIKeyKELLFUMPOFHXGF-UHFFFAOYSA-N
MW1547.23 g/mol
LogP30.11
Rot. Bonds19

About cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium

cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium (PubChem CID 159110729) has the molecular formula C108H105O3S3+3 and a molecular weight of 1547.23 g/mol. Its IUPAC name is cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium.

Molecular Properties

Compound Namecyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium
PubChem CID159110729
Molecular FormulaC108H105O3S3+3
Molecular Weight1547.23 g/mol
Exact Mass1545.72
IUPAC Namecyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium
SMILESc1ccc2c([S+](c3ccc(OCC4CCCCC4)c4ccccc34)C3CCCCC3)cccc2c1.c1ccc2c([S+](c3cccc4ccccc34)c3ccc(OCC4CCCCC4)c4ccccc34)cccc2c1.c1ccc2cc([S+](c3ccc4ccccc4c3)c3ccc(OCCC4CCCCC4)c4ccccc34)ccc2c1
InChIInChI=1S/C38H35OS.C37H33OS.C33H37OS/c1-2-10-28(11-3-1)24-25-39-37-22-23-38(36-17-9-8-16-35(36)37)40(33-20-18-29-12-4-6-14-31(29)26-33)34-21-19-30-13-5-7-15-32(30)27-34;1-2-12-27(13-3-1)26-38-34-24-25-37(33-21-9-8-20-32(33)34)39(35-22-10-16-28-14-4-6-18-30(28)35)36-23-11-17-29-15-5-7-19-31(29)36;1-3-12-25(13-4-1)24-34-31-22-23-33(30-20-10-9-19-29(30)31)35(27-16-5-2-6-17-27)32-21-11-15-26-14-7-8-18-28(26)32/h4-9,12-23,26-28H,1-3,10-11,24-25H2;4-11,14-25,27H,1-3,12-13,26H2;7-11,14-15,18-23,25,27H,1-6,12-13,16-17,24H2/q3*+1
InChIKeyKELLFUMPOFHXGF-UHFFFAOYSA-N
XLogP30.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001547.23
LogP ≤ 530.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium with MolForge

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Related Compounds

[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium
CID 165036943
[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium
CID 59502996
1-(2-cyclohexylethoxy)-4-methylnaphthalene
CID 123891413
2-(2-cyclohexylethoxy)naphthalene-1-carbaldehyde
CID 54794930
cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane
CID 144518056
2-[2-(cyclopentylmethoxy)phenyl]naphthalene
CID 91262762
1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene
CID 158334858
3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine
CID 61343580
4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile
CID 106201503
4-(2-naphthalen-1-yloxyethyl)piperidine;hydrochloride
CID 75539369
1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282615
(4-methoxynaphthalen-1-yl)-bis(4-methoxyphenyl)sulfanium
CID 58908090

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium?
The IUPAC name of cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium (CID 159110729) is cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium.
What is the SMILES notation for cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium?
The canonical SMILES for cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium is c1ccc2c([S+](c3ccc(OCC4CCCCC4)c4ccccc34)C3CCCCC3)cccc2c1.c1ccc2c([S+](c3cccc4ccccc34)c3ccc(OCC4CCCCC4)c4ccccc34)cccc2c1.c1ccc2cc([S+](c3ccc4ccccc4c3)c3ccc(OCCC4CCCCC4)c4ccccc34)ccc2c1.
What is the InChIKey of cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium?
The InChIKey is KELLFUMPOFHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35OS.C37H33OS.C33H37OS/c1-2-10-28(11-3-1)24-25-39-37-22-23-38(36-17-9-8-16-35(36)37)40(33-20-18-29-12-4-6-14-31(29)26-33)34-21-19-30-13-5-7-15-32(30)27-34;1-2-12-27(13-3-1)26-38-34-24-25-37(33-21-9-8-20-32(33)34)39(35-22-10-16-28-14-4-6-18-30(28)35)36-23-11-17-29-15-5-7-19-31(29)36;1-3-12-25(13-4-1)24-34-31-22-23-33(30-20-10-9-19-29(30)31)35(27-16-5-2-6-17-27)32-21-11-15-26-14-7-8-18-28(26)32/h4-9,12-23,26-28H,1-3,10-11,24-25H2;4-11,14-25,27H,1-3,12-13,26H2;7-11,14-15,18-23,25,27H,1-6,12-13,16-17,24H2/q3*+1.
What are the key properties of cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium?
cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium has a molecular weight of 1547.23 g/mol, XLogP of 30.11, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-ylsulfanium;[4-(2-cyclohexylethoxy)naphthalen-1-yl]-dinaphthalen-2-ylsulfanium;[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium is sourced from PubChem (CID 159110729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).