bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium

C167H190B2Br2N2O4P8Pd — CID 157389470

IUPACbis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium
SMILESBrc1ccc(-c2ccc(Br)cn2)cc1.C.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)cn4)cc3)cc21.[Pd].c1ccc(P(c2ccccc2)P(c2ccccc2)P(P(c2ccccc2)P(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(PP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C54H46P6.C42H53N.C41H64B2O4.C18H16P2.C11H7Br2N.CH4.Pd/c1-10-28-46(29-11-1)55(47-30-12-2-13-31-47)57(50-36-18-5-19-37-50)59(60(52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54)58(51-38-20-6-21-39-51)56(48-32-14-3-15-33-48)49-34-16-4-17-35-49;1-5-7-9-11-13-15-27-42(28-16-14-12-10-8-6-2)39-29-32(3)17-24-37(39)38-25-23-36(30-40(38)42)34-19-21-35(22-20-34)41-26-18-33(4)31-43-41;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-9-3-1-8(2-4-9)11-6-5-10(13)7-14-11;;/h1-45,60H;17-26,29-31H,5-16,27-28H2,1-4H3;23-26,29-30H,11-22,27-28H2,1-10H3;1-15,19H;1-7H;1H4;
InChIKeyXDGGXHHMJQYEGX-UHFFFAOYSA-N
MW2825.01 g/mol
LogP44.45
Rot. Bonds51

About bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium

bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium (PubChem CID 157389470) has the molecular formula C167H190B2Br2N2O4P8Pd and a molecular weight of 2825.01 g/mol. Its IUPAC name is bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium.

Molecular Properties

Compound Namebis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium
PubChem CID157389470
Molecular FormulaC167H190B2Br2N2O4P8Pd
Molecular Weight2825.01 g/mol
Exact Mass2821.02
IUPAC Namebis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium
SMILESBrc1ccc(-c2ccc(Br)cn2)cc1.C.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)cn4)cc3)cc21.[Pd].c1ccc(P(c2ccccc2)P(c2ccccc2)P(P(c2ccccc2)P(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(PP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C54H46P6.C42H53N.C41H64B2O4.C18H16P2.C11H7Br2N.CH4.Pd/c1-10-28-46(29-11-1)55(47-30-12-2-13-31-47)57(50-36-18-5-19-37-50)59(60(52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54)58(51-38-20-6-21-39-51)56(48-32-14-3-15-33-48)49-34-16-4-17-35-49;1-5-7-9-11-13-15-27-42(28-16-14-12-10-8-6-2)39-29-32(3)17-24-37(39)38-25-23-36(30-40(38)42)34-19-21-35(22-20-34)41-26-18-33(4)31-43-41;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-9-3-1-8(2-4-9)11-6-5-10(13)7-14-11;;/h1-45,60H;17-26,29-31H,5-16,27-28H2,1-4H3;23-26,29-30H,11-22,27-28H2,1-10H3;1-15,19H;1-7H;1H4;
InChIKeyXDGGXHHMJQYEGX-UHFFFAOYSA-N
XLogP44.45
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds51
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002825.01
LogP ≤ 544.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium with MolForge

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Related Compounds

2,5-Dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-(7-methyl-9,9-dioctylfluoren-2-yl)pyridine;bis(triphenylphosphane)
CID 90966057
2-[9,9-Dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-[4-[7-(7-methyl-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]pyridine;tetrakis(triphenylphosphane)
CID 91574420
2-(1,1,2,2,3,3-Hexamethylinden-5-yl)-5-[2-[3-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 141674110
2-(9,9-Dimethylfluoren-2-yl)-5-[2-[3-[2-[6-(9,9-dimethylfluoren-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 141693340
5-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4-methyl-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)pyridine
CID 142521098
5-Bromo-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;methane;2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157117466
2-Bromo-9,9,10,10-tetramethylanthracene;2-phenyl-4-(9,9,10,10-tetramethylanthracen-2-yl)pyridine;2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157191466
Bis(5-bromo-2-(4-bromophenyl)pyridine);1,4-dibromobenzene;2,5-dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;iridium;methane;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-5-[7-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]-9,9-dioctylfluoren-2-yl]pyridine;bis(5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine);palladium;2-phenylpyridine;bis(2-phenylpyridine);trichloroiridium;tetrakis(triphenylphosphane)
CID 157215044
1,3-Dibromobenzene;20-[3-(23,23-dimethyl-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)phenyl]-23,23-dimethyl-19-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;23,23-dimethyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-18-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 157265215
2,5-Dibromopyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-methyl-2-(7-methyl-9,9-dioctylfluoren-2-yl)pyridine
CID 157295601
2-Bromo-2'-tert-butyl-7'-propan-2-yl-9,9'-spirobi[fluorene];2-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine;palladium;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;tetrakis(triphenylphosphane)
CID 157308470
5-Bromo-2-(2,3,4,5-tetraphenylphenyl)pyridine;(9,9-dihexylfluoren-2-yl)boronic acid;5-(9,9-dihexylfluoren-2-yl)-2-(2,3,4,5-tetraphenylphenyl)pyridine
CID 157309483

Frequently Asked Questions

What is the IUPAC name of bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium?
The IUPAC name of bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium (CID 157389470) is bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium.
What is the SMILES notation for bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium?
The canonical SMILES for bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium is Brc1ccc(-c2ccc(Br)cn2)cc1.C.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)cn4)cc3)cc21.[Pd].c1ccc(P(c2ccccc2)P(c2ccccc2)P(P(c2ccccc2)P(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(PP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium?
The InChIKey is XDGGXHHMJQYEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46P6.C42H53N.C41H64B2O4.C18H16P2.C11H7Br2N.CH4.Pd/c1-10-28-46(29-11-1)55(47-30-12-2-13-31-47)57(50-36-18-5-19-37-50)59(60(52-40-22-7-23-41-52,53-42-24-8-25-43-53)54-44-26-9-27-45-54)58(51-38-20-6-21-39-51)56(48-32-14-3-15-33-48)49-34-16-4-17-35-49;1-5-7-9-11-13-15-27-42(28-16-14-12-10-8-6-2)39-29-32(3)17-24-37(39)38-25-23-36(30-40(38)42)34-19-21-35(22-20-34)41-26-18-33(4)31-43-41;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-9-3-1-8(2-4-9)11-6-5-10(13)7-14-11;;/h1-45,60H;17-26,29-31H,5-16,27-28H2,1-4H3;23-26,29-30H,11-22,27-28H2,1-10H3;1-15,19H;1-7H;1H4;.
What are the key properties of bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium?
bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium has a molecular weight of 2825.01 g/mol, XLogP of 44.45, 51 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[diphenylphosphanyl(phenyl)phosphanyl]phosphanyl-triphenyl-λ5-phosphane;5-bromo-2-(4-bromophenyl)pyridine;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;diphenyl(phenylphosphanyl)phosphane;methane;5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine;palladium is sourced from PubChem (CID 157389470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).