[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium

C37H33OS+ — CID 165036943

IUPAC[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium
SMILESc1ccc2cc([S+](c3cccc4ccccc34)c3ccc(OCC4CCCCC4)c4ccccc34)ccc2c1
InChIInChI=1S/C37H33OS/c1-2-11-27(12-3-1)26-38-35-23-24-37(34-19-9-8-18-33(34)35)39(31-22-21-28-13-4-5-15-30(28)25-31)36-20-10-16-29-14-6-7-17-32(29)36/h4-10,13-25,27H,1-3,11-12,26H2/q+1
InChIKeyLVEUNZZIYNYCSO-UHFFFAOYSA-N
MW525.74 g/mol
LogP10.20
Rot. Bonds6

About [4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium

[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium (PubChem CID 165036943) has the molecular formula C37H33OS+ and a molecular weight of 525.74 g/mol. Its IUPAC name is [4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium.

Molecular Properties

Compound Name[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium
PubChem CID165036943
Molecular FormulaC37H33OS+
Molecular Weight525.74 g/mol
Exact Mass525.22
IUPAC Name[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium
SMILESc1ccc2cc([S+](c3cccc4ccccc34)c3ccc(OCC4CCCCC4)c4ccccc34)ccc2c1
InChIInChI=1S/C37H33OS/c1-2-11-27(12-3-1)26-38-35-23-24-37(34-19-9-8-18-33(34)35)39(31-22-21-28-13-4-5-15-30(28)25-31)36-20-10-16-29-14-6-7-17-32(29)36/h4-10,13-25,27H,1-3,11-12,26H2/q+1
InChIKeyLVEUNZZIYNYCSO-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]-dinaphthalen-1-ylsulfanium
CID 59502996
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
2-[2-(cyclopentylmethoxy)phenyl]naphthalene
CID 91262762
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
cyclohexylmethoxybenzene
CID 14399287
4-[(1-ethenylnaphthalen-2-yl)oxymethyl]oxane
CID 176513410
4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane
CID 62385709
[2-(oxan-4-ylmethoxy)naphthalen-1-yl]methanamine
CID 62386750
2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
1-(2-cyclohexylethoxy)-4-methylnaphthalene
CID 123891413
2-[[2-(cyclohexylmethoxy)naphthalen-1-yl]methyl]-1-methylpiperidin-4-amine
CID 175568036

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium?
The IUPAC name of [4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium (CID 165036943) is [4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium.
What is the SMILES notation for [4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium?
The canonical SMILES for [4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium is c1ccc2cc([S+](c3cccc4ccccc34)c3ccc(OCC4CCCCC4)c4ccccc34)ccc2c1.
What is the InChIKey of [4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium?
The InChIKey is LVEUNZZIYNYCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33OS/c1-2-11-27(12-3-1)26-38-35-23-24-37(34-19-9-8-18-33(34)35)39(31-22-21-28-13-4-5-15-30(28)25-31)36-20-10-16-29-14-6-7-17-32(29)36/h4-10,13-25,27H,1-3,11-12,26H2/q+1.
What are the key properties of [4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-ylsulfanium?
[4-(cyclohexylmethoxy)naphthalen-1-yl]-naphthalen-1-yl-naphthalen-2-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]-naphthalen-1-yl-naphthalen-2-ylsulfanium is sourced from PubChem (CID 165036943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).