(1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane)

C70H81BrCl2O2P2PdSn — CID 161078222

IUPAC(1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane)
SMILESC=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc2c(c1)[C@H](O)CC2.Cl[Pd]Cl.O[C@@H]1CCc2ccc(Br)cc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C11H12O.C9H9BrO.3C4H9.C2H3.2ClH.Pd.Sn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-3-4-9-5-6-11(12)10(9)7-8;10-7-3-1-6-2-4-9(11)8(6)5-7;3*1-3-4-2;1-2;;;;/h2*1-15H;2-4,7,11-12H,1,5-6H2;1,3,5,9,11H,2,4H2;3*1,3-4H2,2H3;1H,2H2;2*1H;;/q;;;;;;;;;;+2;/p-2/t;;11-;9-;;;;;;;;/m..11......../s1
InChIKeyUFOJBYVFUUIZJS-WMTQQXGMSA-L
MW1392.30 g/mol
LogP18.56
Rot. Bonds17

About (1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane)

(1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane) (PubChem CID 161078222) has the molecular formula C70H81BrCl2O2P2PdSn and a molecular weight of 1392.30 g/mol. Its IUPAC name is (1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane).

Molecular Properties

Compound Name(1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane)
PubChem CID161078222
Molecular FormulaC70H81BrCl2O2P2PdSn
Molecular Weight1392.30 g/mol
Exact Mass1390.23
IUPAC Name(1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane)
SMILESC=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc2c(c1)[C@H](O)CC2.Cl[Pd]Cl.O[C@@H]1CCc2ccc(Br)cc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C11H12O.C9H9BrO.3C4H9.C2H3.2ClH.Pd.Sn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-3-4-9-5-6-11(12)10(9)7-8;10-7-3-1-6-2-4-9(11)8(6)5-7;3*1-3-4-2;1-2;;;;/h2*1-15H;2-4,7,11-12H,1,5-6H2;1,3,5,9,11H,2,4H2;3*1,3-4H2,2H3;1H,2H2;2*1H;;/q;;;;;;;;;;+2;/p-2/t;;11-;9-;;;;;;;;/m..11......../s1
InChIKeyUFOJBYVFUUIZJS-WMTQQXGMSA-L
XLogP18.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001392.30
LogP ≤ 518.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane)?
The IUPAC name of (1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane) (CID 161078222) is (1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane).
What is the SMILES notation for (1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane)?
The canonical SMILES for (1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane) is C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc2c(c1)[C@H](O)CC2.Cl[Pd]Cl.O[C@@H]1CCc2ccc(Br)cc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane)?
The InChIKey is UFOJBYVFUUIZJS-WMTQQXGMSA-L. The full InChI is InChI=1S/2C18H15P.C11H12O.C9H9BrO.3C4H9.C2H3.2ClH.Pd.Sn/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-3-4-9-5-6-11(12)10(9)7-8;10-7-3-1-6-2-4-9(11)8(6)5-7;3*1-3-4-2;1-2;;;;/h2*1-15H;2-4,7,11-12H,1,5-6H2;1,3,5,9,11H,2,4H2;3*1,3-4H2,2H3;1H,2H2;2*1H;;/q;;;;;;;;;;+2;/p-2/t;;11-;9-;;;;;;;;/m..11......../s1.
What are the key properties of (1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane)?
(1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane) has a molecular weight of 1392.30 g/mol, XLogP of 18.56, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-bromo-2,3-dihydro-1H-inden-1-ol;dichloropalladium;(1R)-6-ethenyl-2,3-dihydro-1H-inden-1-ol;tributyl(ethenyl)stannane;bis(triphenylphosphane) is sourced from PubChem (CID 161078222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).