1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene

C32H38S2 — CID 57287616

IUPAC1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene
SMILESCCCc1cc2ccccc2c(SSc2c(CCC)c(CCC)cc3ccccc23)c1CCC
InChIInChI=1S/C32H38S2/c1-5-13-23-21-25-17-9-11-19-29(25)31(27(23)15-7-3)33-34-32-28(16-8-4)24(14-6-2)22-26-18-10-12-20-30(26)32/h9-12,17-22H,5-8,13-16H2,1-4H3
InChIKeyWMYKPBJHCKLQJE-UHFFFAOYSA-N
MW486.79 g/mol
LogP10.60
Rot. Bonds11

About 1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene

1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene (PubChem CID 57287616) has the molecular formula C32H38S2 and a molecular weight of 486.79 g/mol. Its IUPAC name is 1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene.

Molecular Properties

Compound Name1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene
PubChem CID57287616
Molecular FormulaC32H38S2
Molecular Weight486.79 g/mol
Exact Mass486.24
IUPAC Name1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene
SMILESCCCc1cc2ccccc2c(SSc2c(CCC)c(CCC)cc3ccccc23)c1CCC
InChIInChI=1S/C32H38S2/c1-5-13-23-21-25-17-9-11-19-29(25)31(27(23)15-7-3)33-34-32-28(16-8-4)24(14-6-2)22-26-18-10-12-20-30(26)32/h9-12,17-22H,5-8,13-16H2,1-4H3
InChIKeyWMYKPBJHCKLQJE-UHFFFAOYSA-N
XLogP10.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.79
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene?
The IUPAC name of 1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene (CID 57287616) is 1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene.
What is the SMILES notation for 1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene?
The canonical SMILES for 1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene is CCCc1cc2ccccc2c(SSc2c(CCC)c(CCC)cc3ccccc23)c1CCC.
What is the InChIKey of 1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene?
The InChIKey is WMYKPBJHCKLQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38S2/c1-5-13-23-21-25-17-9-11-19-29(25)31(27(23)15-7-3)33-34-32-28(16-8-4)24(14-6-2)22-26-18-10-12-20-30(26)32/h9-12,17-22H,5-8,13-16H2,1-4H3.
What are the key properties of 1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene?
1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene has a molecular weight of 486.79 g/mol, XLogP of 10.60, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene is sourced from PubChem (CID 57287616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).