9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

C142H132B2Br3N3O5P4Pd — CID 159261329

IUPAC9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESBrc1cccc(-n2c3ccccc3c3ccccc32)c1.Brc1cccc(Br)c1.C.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C24H24BNO2.C18H12BrN.4C18H15P.C12H9N.C9H19BO3.C6H4Br2.CH4.Pd/c1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26;19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-7(2)11-10-12-8(3,4)9(5,6)13-10;7-5-2-1-3-6(8)4-5;;/h5-16H,1-4H3;1-12H;4*1-15H;1-8,13H;7H,1-6H3;1-4H;1H4;
InChIKeyKWNVJCNANFITJL-UHFFFAOYSA-N
MW2452.29 g/mol
LogP33.57
Rot. Bonds17

About 9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (PubChem CID 159261329) has the molecular formula C142H132B2Br3N3O5P4Pd and a molecular weight of 2452.29 g/mol. Its IUPAC name is 9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
PubChem CID159261329
Molecular FormulaC142H132B2Br3N3O5P4Pd
Molecular Weight2452.29 g/mol
Exact Mass2447.59
IUPAC Name9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESBrc1cccc(-n2c3ccccc3c3ccccc32)c1.Brc1cccc(Br)c1.C.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C24H24BNO2.C18H12BrN.4C18H15P.C12H9N.C9H19BO3.C6H4Br2.CH4.Pd/c1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26;19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-7(2)11-10-12-8(3,4)9(5,6)13-10;7-5-2-1-3-6(8)4-5;;/h5-16H,1-4H3;1-12H;4*1-15H;1-8,13H;7H,1-6H3;1-4H;1H4;
InChIKeyKWNVJCNANFITJL-UHFFFAOYSA-N
XLogP33.57
TPSA71.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002452.29
LogP ≤ 533.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The IUPAC name of 9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (CID 159261329) is 9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).
What is the SMILES notation for 9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The canonical SMILES for 9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is Brc1cccc(-n2c3ccccc3c3ccccc32)c1.Brc1cccc(Br)c1.C.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2cccc(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The InChIKey is KWNVJCNANFITJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BNO2.C18H12BrN.4C18H15P.C12H9N.C9H19BO3.C6H4Br2.CH4.Pd/c1-23(2)24(3,4)28-25(27-23)17-10-9-11-18(16-17)26-21-14-7-5-12-19(21)20-13-6-8-15-22(20)26;19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-7(2)11-10-12-8(3,4)9(5,6)13-10;7-5-2-1-3-6(8)4-5;;/h5-16H,1-4H3;1-12H;4*1-15H;1-8,13H;7H,1-6H3;1-4H;1H4;.
What are the key properties of 9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) has a molecular weight of 2452.29 g/mol, XLogP of 33.57, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromophenyl)carbazole;9H-carbazole;1,3-dibromobenzene;methane;palladium;9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159261329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).