benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane

C68H86BrCl2O2P2PdSn- — CID 157441686

IUPACbenzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane
SMILESC=C[Sn](CCCC)(CCCC)CCCC.C=Cc1cccc([C@@H](C)O)c1.C[C@@H](O)c1cccc(Br)c1.Cl[Pd]Cl.P.Pc1ccccc1.[c-]1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H10.C10H12O.C8H9BrO.C6H7P.C6H5.3C4H9.C2H3.2ClH.H3P.Pd.Sn/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-9-5-4-6-10(7-9)8(2)11;1-6(10)7-3-2-4-8(9)5-7;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;3*1-3-4-2;1-2;;;;;/h2*1-10H;3-8,11H,1H2,2H3;2-6,10H,1H3;1-5H,7H2;1-5H;3*1,3-4H2,2H3;1H,2H2;2*1H;1H3;;/q;;;;;-1;;;;;;;;+2;/p-2/t;;8-;6-;;;;;;;;;;;/m..11.........../s1
InChIKeyRRHNQTPVXNEXFN-ZMGRBLNISA-L
MW1373.32 g/mol
LogP21.26
Rot. Bonds15

About benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane

benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane (PubChem CID 157441686) has the molecular formula C68H86BrCl2O2P2PdSn- and a molecular weight of 1373.32 g/mol. Its IUPAC name is benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane.

Molecular Properties

Compound Namebenzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane
PubChem CID157441686
Molecular FormulaC68H86BrCl2O2P2PdSn-
Molecular Weight1373.32 g/mol
Exact Mass1371.27
IUPAC Namebenzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane
SMILESC=C[Sn](CCCC)(CCCC)CCCC.C=Cc1cccc([C@@H](C)O)c1.C[C@@H](O)c1cccc(Br)c1.Cl[Pd]Cl.P.Pc1ccccc1.[c-]1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C12H10.C10H12O.C8H9BrO.C6H7P.C6H5.3C4H9.C2H3.2ClH.H3P.Pd.Sn/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-9-5-4-6-10(7-9)8(2)11;1-6(10)7-3-2-4-8(9)5-7;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;3*1-3-4-2;1-2;;;;;/h2*1-10H;3-8,11H,1H2,2H3;2-6,10H,1H3;1-5H,7H2;1-5H;3*1,3-4H2,2H3;1H,2H2;2*1H;1H3;;/q;;;;;-1;;;;;;;;+2;/p-2/t;;8-;6-;;;;;;;;;;;/m..11.........../s1
InChIKeyRRHNQTPVXNEXFN-ZMGRBLNISA-L
XLogP21.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001373.32
LogP ≤ 521.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane?
The IUPAC name of benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane (CID 157441686) is benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane.
What is the SMILES notation for benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane?
The canonical SMILES for benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane is C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1cccc([C@@H](C)O)c1.C[C@@H](O)c1cccc(Br)c1.Cl[Pd]Cl.P.Pc1ccccc1.[c-]1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane?
The InChIKey is RRHNQTPVXNEXFN-ZMGRBLNISA-L. The full InChI is InChI=1S/2C12H10.C10H12O.C8H9BrO.C6H7P.C6H5.3C4H9.C2H3.2ClH.H3P.Pd.Sn/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-9-5-4-6-10(7-9)8(2)11;1-6(10)7-3-2-4-8(9)5-7;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;3*1-3-4-2;1-2;;;;;/h2*1-10H;3-8,11H,1H2,2H3;2-6,10H,1H3;1-5H,7H2;1-5H;3*1,3-4H2,2H3;1H,2H2;2*1H;1H3;;/q;;;;;-1;;;;;;;;+2;/p-2/t;;8-;6-;;;;;;;;;;;/m..11.........../s1.
What are the key properties of benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane?
benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane has a molecular weight of 1373.32 g/mol, XLogP of 21.26, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(1,1'-biphenyl);(1R)-1-(3-bromophenyl)ethanol;dichloropalladium;(1R)-1-(3-ethenylphenyl)ethanol;phenylphosphane;phosphane;tributyl(ethenyl)stannane is sourced from PubChem (CID 157441686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).