2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene

C32H34O2S2 — CID 102361074

IUPAC2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene
SMILESO=S(c1ccc2ccccc2c1-c1c(S(=O)C2CCCCC2)ccc2ccccc12)C1CCCCC1
InChIInChI=1S/C32H34O2S2/c33-35(25-13-3-1-4-14-25)29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)36(34)26-15-5-2-6-16-26/h7-12,17-22,25-26H,1-6,13-16H2
InChIKeyPZZPCWRJXBCNRJ-UHFFFAOYSA-N
MW514.76 g/mol
LogP8.54
Rot. Bonds5

About 2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene

2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene (PubChem CID 102361074) has the molecular formula C32H34O2S2 and a molecular weight of 514.76 g/mol. Its IUPAC name is 2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene
PubChem CID102361074
Molecular FormulaC32H34O2S2
Molecular Weight514.76 g/mol
Exact Mass514.20
IUPAC Name2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene
SMILESO=S(c1ccc2ccccc2c1-c1c(S(=O)C2CCCCC2)ccc2ccccc12)C1CCCCC1
InChIInChI=1S/C32H34O2S2/c33-35(25-13-3-1-4-14-25)29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)36(34)26-15-5-2-6-16-26/h7-12,17-22,25-26H,1-6,13-16H2
InChIKeyPZZPCWRJXBCNRJ-UHFFFAOYSA-N
XLogP8.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.76
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid
CID 101353130
6a,7,8,9,10,10a-hexahydro-6H-chrysen-5-one
CID 91491967
[1-(2-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 155147383
2-(cyclohexylmethyl)naphthalen-1-ol
CID 15617835
cyclohexylmethyl(naphthalen-1-yl)phosphane
CID 167150287
3-cyclopentylphenanthrene
CID 173264329
cis-(1R,2S)-1-N,2-N-bis(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)cyclohexane-1,2-diamine
CID 101184623
9-(cycloheptylmethyl)anthracene
CID 173272889
9-(cyclohexylmethyl)anthracene
CID 173272896
1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene
CID 141152735
13λ4-selenapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 10523489
azane;2-cyclohexyl-1-nitrosonaphthalene
CID 88719595

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene?
The IUPAC name of 2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene (CID 102361074) is 2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene is O=S(c1ccc2ccccc2c1-c1c(S(=O)C2CCCCC2)ccc2ccccc12)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene?
The InChIKey is PZZPCWRJXBCNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O2S2/c33-35(25-13-3-1-4-14-25)29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)36(34)26-15-5-2-6-16-26/h7-12,17-22,25-26H,1-6,13-16H2.
What are the key properties of 2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene?
2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene has a molecular weight of 514.76 g/mol, XLogP of 8.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene is sourced from PubChem (CID 102361074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).