(1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane

C32H42Se4 — CID 102295008

IUPAC(1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane
SMILESCC1(C)[C@H]2C[C@@H]([Se][Se][C@@H]3C[C@H]4C[C@@H]([C@@H]3C[Se]c3ccccc3)C4(C)C)[C@@H](C[Se]c3ccccc3)[C@@H]1C2
InChIInChI=1S/C32H42Se4/c1-31(2)21-15-27(31)25(19-33-23-11-7-5-8-12-23)29(17-21)35-36-30-18-22-16-28(32(22,3)4)26(30)20-34-24-13-9-6-10-14-24/h5-14,21-22,25-30H,15-20H2,1-4H3/t21-,22-,25+,26+,27+,28+,29-,30-/m1/s1
InChIKeyRVWGCGXNFLPLIA-GUUMEGLWSA-N
MW742.53 g/mol
LogP6.15
Rot. Bonds9

About (1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane

(1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane (PubChem CID 102295008) has the molecular formula C32H42Se4 and a molecular weight of 742.53 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane
PubChem CID102295008
Molecular FormulaC32H42Se4
Molecular Weight742.53 g/mol
Exact Mass745.99
IUPAC Name(1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane
SMILESCC1(C)[C@H]2C[C@@H]([Se][Se][C@@H]3C[C@H]4C[C@@H]([C@@H]3C[Se]c3ccccc3)C4(C)C)[C@@H](C[Se]c3ccccc3)[C@@H]1C2
InChIInChI=1S/C32H42Se4/c1-31(2)21-15-27(31)25(19-33-23-11-7-5-8-12-23)29(17-21)35-36-30-18-22-16-28(32(22,3)4)26(30)20-34-24-13-9-6-10-14-24/h5-14,21-22,25-30H,15-20H2,1-4H3/t21-,22-,25+,26+,27+,28+,29-,30-/m1/s1
InChIKeyRVWGCGXNFLPLIA-GUUMEGLWSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.53
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane with MolForge

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Related Compounds

1,3-DI-P-Tolyl-adamantane
CID 3088999
5,7-Dimethyl-1,3-bis(phenylselanyl)adamantane
CID 129753775
Tetraphenyladamantane
CID 22140534
Octaphenylcubane
CID 57162748
3,3'-Bis(4-methylphenyl)-1,1'-biadamantane
CID 57852446
Diphenyl adamantane
CID 91565758
Di-tolyl adamantane
CID 129694856
Sporulene B
CID 102596711
[(1S,2S,3S,5R)-3-diphenylphosphanyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-diphenylphosphane
CID 11352671
[(1S,2R,3R,5R)-3-diphenylphosphanyl-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-diphenylphosphane
CID 11420784
2,5-Dimethyl-3,4-diphenylpentacyclo[4.4.0.02,5.03,8.04,7]decane
CID 13215505
2-Phenyl-2-prop-1-en-2-yladamantane
CID 14120413

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane?
The IUPAC name of (1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane (CID 102295008) is (1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane.
What is the SMILES notation for (1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane?
The canonical SMILES for (1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane is CC1(C)[C@H]2C[C@@H]([Se][Se][C@@H]3C[C@H]4C[C@@H]([C@@H]3C[Se]c3ccccc3)C4(C)C)[C@@H](C[Se]c3ccccc3)[C@@H]1C2.
What is the InChIKey of (1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane?
The InChIKey is RVWGCGXNFLPLIA-GUUMEGLWSA-N. The full InChI is InChI=1S/C32H42Se4/c1-31(2)21-15-27(31)25(19-33-23-11-7-5-8-12-23)29(17-21)35-36-30-18-22-16-28(32(22,3)4)26(30)20-34-24-13-9-6-10-14-24/h5-14,21-22,25-30H,15-20H2,1-4H3/t21-,22-,25+,26+,27+,28+,29-,30-/m1/s1.
What are the key properties of (1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane?
(1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane has a molecular weight of 742.53 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-[[(1S,2R,3R,5R)-6,6-dimethyl-2-(phenylselanylmethyl)-3-bicyclo[3.1.1]heptanyl]diselanyl]-6,6-dimethyl-2-(phenylselanylmethyl)bicyclo[3.1.1]heptane is sourced from PubChem (CID 102295008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).