(1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol

C32H37NOS2 — CID 134930065

IUPAC(1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol
SMILESCC(C)c1cc(C(C)C)c(S[C@@H](Sc2ccccn2)[C@@H](O)c2ccc3ccccc3c2)c(C(C)C)c1
InChIInChI=1S/C32H37NOS2/c1-20(2)26-18-27(21(3)4)31(28(19-26)22(5)6)36-32(35-29-13-9-10-16-33-29)30(34)25-15-14-23-11-7-8-12-24(23)17-25/h7-22,30,32,34H,1-6H3/t30-,32+/m0/s1
InChIKeyYQLOVDUASMIPEC-XDFJSJKPSA-N
MW515.79 g/mol
LogP9.55
Rot. Bonds9

About (1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol

(1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol (PubChem CID 134930065) has the molecular formula C32H37NOS2 and a molecular weight of 515.79 g/mol. Its IUPAC name is (1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol.

Molecular Properties

Compound Name(1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol
PubChem CID134930065
Molecular FormulaC32H37NOS2
Molecular Weight515.79 g/mol
Exact Mass515.23
IUPAC Name(1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol
SMILESCC(C)c1cc(C(C)C)c(S[C@@H](Sc2ccccn2)[C@@H](O)c2ccc3ccccc3c2)c(C(C)C)c1
InChIInChI=1S/C32H37NOS2/c1-20(2)26-18-27(21(3)4)31(28(19-26)22(5)6)36-32(35-29-13-9-10-16-33-29)30(34)25-15-14-23-11-7-8-12-24(23)17-25/h7-22,30,32,34H,1-6H3/t30-,32+/m0/s1
InChIKeyYQLOVDUASMIPEC-XDFJSJKPSA-N
XLogP9.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.79
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-2-tert-butylsulfanyl-1-naphthalen-2-yl-2-pyridin-2-ylsulfanylethanol
CID 134929230
2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
(1S,2S)-2-propan-2-ylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol
CID 134930064
2-hydroxysulfanyl-1,3,5-tri(propan-2-yl)benzene;methanol
CID 145144506
ethane;2-propan-2-ylnaphthalene
CID 142226111
4-(1-pyridin-2-ylsulfanylethyl)aniline
CID 61263896
ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 91356772
4-pyridin-2-ylsulfanylpentan-2-one
CID 64727463
(1R,2S)-2-methylsulfanyl-2-pyridin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanol
CID 134929663
2-propan-2-ylpentacene
CID 153380535
(1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol
CID 102509250
(1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol
CID 78951870

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol?
The IUPAC name of (1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol (CID 134930065) is (1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol.
What is the SMILES notation for (1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol?
The canonical SMILES for (1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol is CC(C)c1cc(C(C)C)c(S[C@@H](Sc2ccccn2)[C@@H](O)c2ccc3ccccc3c2)c(C(C)C)c1.
What is the InChIKey of (1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol?
The InChIKey is YQLOVDUASMIPEC-XDFJSJKPSA-N. The full InChI is InChI=1S/C32H37NOS2/c1-20(2)26-18-27(21(3)4)31(28(19-26)22(5)6)36-32(35-29-13-9-10-16-33-29)30(34)25-15-14-23-11-7-8-12-24(23)17-25/h7-22,30,32,34H,1-6H3/t30-,32+/m0/s1.
What are the key properties of (1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol?
(1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol has a molecular weight of 515.79 g/mol, XLogP of 9.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-naphthalen-2-yl-2-pyridin-2-ylsulfanyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfanylethanol is sourced from PubChem (CID 134930065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).