[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium

C37H33OS+ — CID 59502996

IUPAC[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium
SMILESc1ccc2c([S+](c3cccc4ccccc34)c3ccc(OCC4CCCCC4)c4ccccc34)cccc2c1
InChIInChI=1S/C37H33OS/c1-2-12-27(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/h4-11,14-25,27H,1-3,12-13,26H2/q+1
InChIKeyPIVHVWQLURXUKZ-UHFFFAOYSA-N
MW525.74 g/mol
LogP10.20
Rot. Bonds6

About [4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium

[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium (PubChem CID 59502996) has the molecular formula C37H33OS+ and a molecular weight of 525.74 g/mol. Its IUPAC name is [4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium.

Molecular Properties

Compound Name[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium
PubChem CID59502996
Molecular FormulaC37H33OS+
Molecular Weight525.74 g/mol
Exact Mass525.22
IUPAC Name[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium
SMILESc1ccc2c([S+](c3cccc4ccccc34)c3ccc(OCC4CCCCC4)c4ccccc34)cccc2c1
InChIInChI=1S/C37H33OS/c1-2-12-27(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/h4-11,14-25,27H,1-3,12-13,26H2/q+1
InChIKeyPIVHVWQLURXUKZ-UHFFFAOYSA-N
XLogP10.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.74
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium
CID 165036943
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
cyclohexyl-[4-(cyclohexylmethoxy)naphthalen-1-yl]-methyl-naphthalen-1-ylsilane
CID 144518056
3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine
CID 61343580
2-[2-(cyclopentylmethoxy)phenyl]naphthalene
CID 91262762
cyclohexylmethoxybenzene
CID 14399287
1-(cyclohexylmethoxy)-4-[4-(cyclopropen-1-yl)butylsulfanyl]naphthalene
CID 91161613
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
4-(cyclopentylmethoxy)quinolin-8-amine
CID 83060698
2-[[2-(cyclohexylmethoxy)naphthalen-1-yl]methyl]-1-methylpiperidin-4-amine
CID 175568036
[2-(oxan-4-ylmethoxy)naphthalen-1-yl]methanamine
CID 62386750
4-[(1-ethenylnaphthalen-2-yl)oxymethyl]oxane
CID 176513410

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium?
The IUPAC name of [4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium (CID 59502996) is [4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium.
What is the SMILES notation for [4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium?
The canonical SMILES for [4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium is c1ccc2c([S+](c3cccc4ccccc34)c3ccc(OCC4CCCCC4)c4ccccc34)cccc2c1.
What is the InChIKey of [4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium?
The InChIKey is PIVHVWQLURXUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33OS/c1-2-12-27(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/h4-11,14-25,27H,1-3,12-13,26H2/q+1.
What are the key properties of [4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium?
[4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium has a molecular weight of 525.74 g/mol, XLogP of 10.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethoxy)naphthalen-1-yl]-dinaphthalen-1-ylsulfanium is sourced from PubChem (CID 59502996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).