5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane)

C128H116BrCl4N4P4S2Sn+ — CID 160750115

IUPAC5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane)
SMILESCCCC[Sn](CCCC)(CCCC)Sc1ccccc1.[C-]#[N+]C(c1ccc(Br)cn1)c1c(Cl)cccc1Cl.[C-]#[N+]C(c1ccc(Sc2ccccc2)cn1)c1c(Cl)cccc1Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P.C19H12Cl2N2S.3C18H15P.C13H7BrCl2N2.C6H6S.3C4H9.Sn/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-22-19(18-15(20)8-5-9-16(18)21)17-11-10-14(12-23-17)24-13-6-3-2-4-7-13;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17-13(11-6-5-8(14)7-18-11)12-9(15)3-2-4-10(12)16;7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-20H;2-12,19H;3*1-15H;2-7,13H;1-5,7H;3*1,3-4H2,2H3;/q+1;;;;;;;;;;+1/p-1
InChIKeyNRQJCBRMUQNWJN-UHFFFAOYSA-M
MW2238.82 g/mol
LogP33.47
Rot. Bonds30

About 5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane)

5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane) (PubChem CID 160750115) has the molecular formula C128H116BrCl4N4P4S2Sn+ and a molecular weight of 2238.82 g/mol. Its IUPAC name is 5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane).

Molecular Properties

Compound Name5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane)
PubChem CID160750115
Molecular FormulaC128H116BrCl4N4P4S2Sn+
Molecular Weight2238.82 g/mol
Exact Mass2235.45
IUPAC Name5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane)
SMILESCCCC[Sn](CCCC)(CCCC)Sc1ccccc1.[C-]#[N+]C(c1ccc(Br)cn1)c1c(Cl)cccc1Cl.[C-]#[N+]C(c1ccc(Sc2ccccc2)cn1)c1c(Cl)cccc1Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P.C19H12Cl2N2S.3C18H15P.C13H7BrCl2N2.C6H6S.3C4H9.Sn/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-22-19(18-15(20)8-5-9-16(18)21)17-11-10-14(12-23-17)24-13-6-3-2-4-7-13;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17-13(11-6-5-8(14)7-18-11)12-9(15)3-2-4-10(12)16;7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-20H;2-12,19H;3*1-15H;2-7,13H;1-5,7H;3*1,3-4H2,2H3;/q+1;;;;;;;;;;+1/p-1
InChIKeyNRQJCBRMUQNWJN-UHFFFAOYSA-M
XLogP33.47
TPSA34.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002238.82
LogP ≤ 533.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine
CID 157056041
Sodium;2,5-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-methylpyridine;hydride;palladium;tetrakis(triphenylphosphane)
CID 157186424
Sodium;5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,5-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane)
CID 157578687
5-Bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tributyl(phenylsulfanyl)stannane
CID 160808447
Sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;tetraphenylphosphanium;tris(triphenylphosphane)
CID 160914792

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane)?
The IUPAC name of 5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane) (CID 160750115) is 5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane).
What is the SMILES notation for 5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane)?
The canonical SMILES for 5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane) is CCCC[Sn](CCCC)(CCCC)Sc1ccccc1.[C-]#[N+]C(c1ccc(Br)cn1)c1c(Cl)cccc1Cl.[C-]#[N+]C(c1ccc(Sc2ccccc2)cn1)c1c(Cl)cccc1Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane)?
The InChIKey is NRQJCBRMUQNWJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20P.C19H12Cl2N2S.3C18H15P.C13H7BrCl2N2.C6H6S.3C4H9.Sn/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-22-19(18-15(20)8-5-9-16(18)21)17-11-10-14(12-23-17)24-13-6-3-2-4-7-13;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17-13(11-6-5-8(14)7-18-11)12-9(15)3-2-4-10(12)16;7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-20H;2-12,19H;3*1-15H;2-7,13H;1-5,7H;3*1,3-4H2,2H3;/q+1;;;;;;;;;;+1/p-1.
What are the key properties of 5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane)?
5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane) has a molecular weight of 2238.82 g/mol, XLogP of 33.47, 30 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2-[(2,6-dichlorophenyl)-isocyanomethyl]-5-phenylsulfanylpyridine;tetraphenylphosphanium;tributyl(phenylsulfanyl)stannane;tris(triphenylphosphane) is sourced from PubChem (CID 160750115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).