2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

C205H154BBrO3P4Pd — CID 161319520

IUPAC2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESC.CC1(C)OB(c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)OC1(C)C.Cc1ccc(Br)cc1-c1cc2c3ccccc3c3ccccc3c2cc1C.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6c(c5)oc5cc7c8ccccc8c8ccccc8c7cc56)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C62H36O.C44H35BO2.C26H19Br.4C18H15P.CH4.Pd/c1-2-16-38-33-39(30-29-37(38)15-1)59-46-21-7-11-25-50(46)61(51-26-12-8-22-47(51)59)62-52-27-13-9-23-48(52)60(49-24-10-14-28-53(49)62)40-31-32-45-56-35-54-43-19-5-3-17-41(43)42-18-4-6-20-44(42)55(54)36-58(56)63-57(45)34-40;1-43(2)44(3,4)47-45(46-43)42-37-23-13-11-21-35(37)41(36-22-12-14-24-38(36)42)40-33-19-9-7-17-31(33)39(32-18-8-10-20-34(32)40)30-26-25-28-15-5-6-16-29(28)27-30;1-16-11-12-18(27)14-23(16)24-15-26-22-10-6-4-8-20(22)19-7-3-5-9-21(19)25(26)13-17(24)2;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-36H;5-27H,1-4H3;3-15H,1-2H3;4*1-15H;1H4;
InChIKeyVJYMJQGAXQQHCG-UHFFFAOYSA-N
MW2986.52 g/mol
LogP51.50
Rot. Bonds19

About 2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (PubChem CID 161319520) has the molecular formula C205H154BBrO3P4Pd and a molecular weight of 2986.52 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
PubChem CID161319520
Molecular FormulaC205H154BBrO3P4Pd
Molecular Weight2986.52 g/mol
Exact Mass2982.92
IUPAC Name2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESC.CC1(C)OB(c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)OC1(C)C.Cc1ccc(Br)cc1-c1cc2c3ccccc3c3ccccc3c2cc1C.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6c(c5)oc5cc7c8ccccc8c8ccccc8c7cc56)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C62H36O.C44H35BO2.C26H19Br.4C18H15P.CH4.Pd/c1-2-16-38-33-39(30-29-37(38)15-1)59-46-21-7-11-25-50(46)61(51-26-12-8-22-47(51)59)62-52-27-13-9-23-48(52)60(49-24-10-14-28-53(49)62)40-31-32-45-56-35-54-43-19-5-3-17-41(43)42-18-4-6-20-44(42)55(54)36-58(56)63-57(45)34-40;1-43(2)44(3,4)47-45(46-43)42-37-23-13-11-21-35(37)41(36-22-12-14-24-38(36)42)40-33-19-9-7-17-31(33)39(32-18-8-10-20-34(32)40)30-26-25-28-15-5-6-16-29(28)27-30;1-16-11-12-18(27)14-23(16)24-15-26-22-10-6-4-8-20(22)19-7-3-5-9-21(19)25(26)13-17(24)2;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-36H;5-27H,1-4H3;3-15H,1-2H3;4*1-15H;1H4;
InChIKeyVJYMJQGAXQQHCG-UHFFFAOYSA-N
XLogP51.50
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms215
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002986.52
LogP ≤ 551.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

19-bromo-23-oxahexacyclo[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;19-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 159714369
2-(10-bromoanthracen-9-yl)dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4,4,5,5-tetramethyl-2-(4-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
CID 167675442
2-bromo-6-diphenylphosphorylnaphthalene;9-(6-diphenylphosphorylnaphthalen-2-yl)-10-naphthalen-1-ylanthracene;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane
CID 160848216
4,4,5,5-tetramethyl-2-(2-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-1,3,2-dioxaborolane
CID 152830256
20-bromo-23-oxahexacyclo[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;3-bromo-7-(2-phenylphenyl)dibenzofuran
CID 160654162
2-bromo-9,10-dinaphthalen-2-ylanthracene;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 158103291
2-bromo-9,10-dinaphthalen-2-ylanthracene;4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 162156215
3,7-bis(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran
CID 58569301
5-[6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyren-1-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 155008997
2-naphthalen-2-yl-4-(23-oxahexacyclo[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)-6-phenyl-1,3,5-triazine
CID 158202082
2-bromodibenzofuran;2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 158135500
CID 159334554
CID 159334554

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (CID 161319520) is 2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is C.CC1(C)OB(c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)OC1(C)C.Cc1ccc(Br)cc1-c1cc2c3ccccc3c3ccccc3c2cc1C.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6c(c5)oc5cc7c8ccccc8c8ccccc8c7cc56)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The InChIKey is VJYMJQGAXQQHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36O.C44H35BO2.C26H19Br.4C18H15P.CH4.Pd/c1-2-16-38-33-39(30-29-37(38)15-1)59-46-21-7-11-25-50(46)61(51-26-12-8-22-47(51)59)62-52-27-13-9-23-48(52)60(49-24-10-14-28-53(49)62)40-31-32-45-56-35-54-43-19-5-3-17-41(43)42-18-4-6-20-44(42)55(54)36-58(56)63-57(45)34-40;1-43(2)44(3,4)47-45(46-43)42-37-23-13-11-21-35(37)41(36-22-12-14-24-38(36)42)40-33-19-9-7-17-31(33)39(32-18-8-10-20-34(32)40)30-26-25-28-15-5-6-16-29(28)27-30;1-16-11-12-18(27)14-23(16)24-15-26-22-10-6-4-8-20(22)19-7-3-5-9-21(19)25(26)13-17(24)2;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-36H;5-27H,1-4H3;3-15H,1-2H3;4*1-15H;1H4;.
What are the key properties of 2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) has a molecular weight of 2986.52 g/mol, XLogP of 51.50, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-3-methyltriphenylene;methane;20-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[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;palladium;4,4,5,5-tetramethyl-2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 161319520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).