lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane

C134H108Br2ClLiN3O2P5 — CID 158234837

IUPAClithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane
SMILESBrc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(Br)c3)n2)c1.C.ClP(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1.[CH2-]CCC.[Li+].c1ccc(-c2cc(-c3cccc(P(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(P(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C47H35NO2P2.C47H35NP2.C23H15Br2N.C12H10ClP.C4H9.CH4.Li/c49-51(40-22-8-2-9-23-40,41-24-10-3-11-25-41)44-30-16-20-37(32-44)46-34-39(36-18-6-1-7-19-36)35-47(48-46)38-21-17-31-45(33-38)52(50,42-26-12-4-13-27-42)43-28-14-5-15-29-43;1-6-18-36(19-7-1)39-34-46(37-20-16-30-44(32-37)49(40-22-8-2-9-23-40)41-24-10-3-11-25-41)48-47(35-39)38-21-17-31-45(33-38)50(42-26-12-4-13-27-42)43-28-14-5-15-29-43;24-20-10-4-8-17(12-20)22-14-19(16-6-2-1-3-7-16)15-23(26-22)18-9-5-11-21(25)13-18;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-4-2;;/h1-35H;1-35H;1-15H;1-10H;1,3-4H2,2H3;1H4;/q;;;;-1;;+1
InChIKeyFVZFKIFFLUOKPP-UHFFFAOYSA-N
MW2149.43 g/mol
LogP29.10
Rot. Bonds24

About lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane

lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane (PubChem CID 158234837) has the molecular formula C134H108Br2ClLiN3O2P5 and a molecular weight of 2149.43 g/mol. Its IUPAC name is lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane.

Molecular Properties

Compound Namelithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane
PubChem CID158234837
Molecular FormulaC134H108Br2ClLiN3O2P5
Molecular Weight2149.43 g/mol
Exact Mass2145.53
IUPAC Namelithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane
SMILESBrc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(Br)c3)n2)c1.C.ClP(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1.[CH2-]CCC.[Li+].c1ccc(-c2cc(-c3cccc(P(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(P(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C47H35NO2P2.C47H35NP2.C23H15Br2N.C12H10ClP.C4H9.CH4.Li/c49-51(40-22-8-2-9-23-40,41-24-10-3-11-25-41)44-30-16-20-37(32-44)46-34-39(36-18-6-1-7-19-36)35-47(48-46)38-21-17-31-45(33-38)52(50,42-26-12-4-13-27-42)43-28-14-5-15-29-43;1-6-18-36(19-7-1)39-34-46(37-20-16-30-44(32-37)49(40-22-8-2-9-23-40)41-24-10-3-11-25-41)48-47(35-39)38-21-17-31-45(33-38)50(42-26-12-4-13-27-42)43-28-14-5-15-29-43;24-20-10-4-8-17(12-20)22-14-19(16-6-2-1-3-7-16)15-23(26-22)18-9-5-11-21(25)13-18;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-4-2;;/h1-35H;1-35H;1-15H;1-10H;1,3-4H2,2H3;1H4;/q;;;;-1;;+1
InChIKeyFVZFKIFFLUOKPP-UHFFFAOYSA-N
XLogP29.10
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002149.43
LogP ≤ 529.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane with MolForge

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Related Compounds

2,4-Bis(4-bromophenyl)-6-[(4-bromophenyl)methyl]pyridine
CID 139186376
[6-[2-[[6-[2-(6-Diphenylphosphanyl-2-pyridinyl)phenyl]phosphanyl-2-pyridinyl]phosphanyl]phenyl]-2-pyridinyl]-diphenylphosphane
CID 53807351
2-(3-Bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine
CID 57548770
4-(3-Bromophenyl)-2-[4-(3-bromophenyl)-6-phenyl-2-pyridinyl]-6-phenylpyridine
CID 57548772
2-Benzyl-6-[bis(6-benzyl-2-pyridinyl)phosphoryl]pyridine
CID 58106845
2-[Bis[6-(3-phenylphenyl)-2-pyridinyl]phosphoryl]-6-(3-phenylphenyl)pyridine
CID 58251122
2-Bis(3-phenylphenyl)phosphoryl-6-[6-bis(3-phenylphenyl)phosphoryl-2-pyridinyl]pyridine
CID 58251129
4-[3-Bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine
CID 58692889
2-(4-Bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 58692921
4-[3-Bromo-5-(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-diphenylpyridine
CID 58692960
2-(3-Bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 58693030
2-(2-Bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 58693072

Frequently Asked Questions

What is the IUPAC name of lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane?
The IUPAC name of lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane (CID 158234837) is lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane.
What is the SMILES notation for lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane?
The canonical SMILES for lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane is Brc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(Br)c3)n2)c1.C.ClP(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c1.[CH2-]CCC.[Li+].c1ccc(-c2cc(-c3cccc(P(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(P(c4ccccc4)c4ccccc4)c3)c2)cc1.
What is the InChIKey of lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane?
The InChIKey is FVZFKIFFLUOKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35NO2P2.C47H35NP2.C23H15Br2N.C12H10ClP.C4H9.CH4.Li/c49-51(40-22-8-2-9-23-40,41-24-10-3-11-25-41)44-30-16-20-37(32-44)46-34-39(36-18-6-1-7-19-36)35-47(48-46)38-21-17-31-45(33-38)52(50,42-26-12-4-13-27-42)43-28-14-5-15-29-43;1-6-18-36(19-7-1)39-34-46(37-20-16-30-44(32-37)49(40-22-8-2-9-23-40)41-24-10-3-11-25-41)48-47(35-39)38-21-17-31-45(33-38)50(42-26-12-4-13-27-42)43-28-14-5-15-29-43;24-20-10-4-8-17(12-20)22-14-19(16-6-2-1-3-7-16)15-23(26-22)18-9-5-11-21(25)13-18;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-4-2;;/h1-35H;1-35H;1-15H;1-10H;1,3-4H2,2H3;1H4;/q;;;;-1;;+1.
What are the key properties of lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane?
lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane has a molecular weight of 2149.43 g/mol, XLogP of 29.10, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane is sourced from PubChem (CID 158234837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).