2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane

C34H26Cl4OS — CID 169097226

IUPAC2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane
SMILESO=S(C1C2(c3ccc(Cl)cc3)CC1(c1ccc(Cl)cc1)C2)C1C2(c3ccc(Cl)cc3)CC1(c1ccc(Cl)cc1)C2
InChIInChI=1S/C34H26Cl4OS/c35-25-9-1-21(2-10-25)31-17-32(18-31,22-3-11-26(36)12-4-22)29(31)40(39)30-33(23-5-13-27(37)14-6-23)19-34(30,20-33)24-7-15-28(38)16-8-24/h1-16,29-30H,17-20H2
InChIKeyFMUWDAMPOCXDEE-UHFFFAOYSA-N
MW624.46 g/mol
LogP9.45
Rot. Bonds6

About 2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane

2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane (PubChem CID 169097226) has the molecular formula C34H26Cl4OS and a molecular weight of 624.46 g/mol. Its IUPAC name is 2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane
PubChem CID169097226
Molecular FormulaC34H26Cl4OS
Molecular Weight624.46 g/mol
Exact Mass622.05
IUPAC Name2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane
SMILESO=S(C1C2(c3ccc(Cl)cc3)CC1(c1ccc(Cl)cc1)C2)C1C2(c3ccc(Cl)cc3)CC1(c1ccc(Cl)cc1)C2
InChIInChI=1S/C34H26Cl4OS/c35-25-9-1-21(2-10-25)31-17-32(18-31,22-3-11-26(36)12-4-22)29(31)40(39)30-33(23-5-13-27(37)14-6-23)19-34(30,20-33)24-7-15-28(38)16-8-24/h1-16,29-30H,17-20H2
InChIKeyFMUWDAMPOCXDEE-UHFFFAOYSA-N
XLogP9.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.46
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane?
The IUPAC name of 2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane (CID 169097226) is 2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane.
What is the SMILES notation for 2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane?
The canonical SMILES for 2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane is O=S(C1C2(c3ccc(Cl)cc3)CC1(c1ccc(Cl)cc1)C2)C1C2(c3ccc(Cl)cc3)CC1(c1ccc(Cl)cc1)C2.
What is the InChIKey of 2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane?
The InChIKey is FMUWDAMPOCXDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26Cl4OS/c35-25-9-1-21(2-10-25)31-17-32(18-31,22-3-11-26(36)12-4-22)29(31)40(39)30-33(23-5-13-27(37)14-6-23)19-34(30,20-33)24-7-15-28(38)16-8-24/h1-16,29-30H,17-20H2.
What are the key properties of 2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane?
2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane has a molecular weight of 624.46 g/mol, XLogP of 9.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-bis(4-chlorophenyl)-2-bicyclo[1.1.1]pentanyl]sulfinyl]-1,3-bis(4-chlorophenyl)bicyclo[1.1.1]pentane is sourced from PubChem (CID 169097226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).