dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane)

C187H146BBrK2N4O5P4Pd — CID 161086182

IUPACdipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane)
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2)c1.CC1(C)OB(c2ccc3c(c2)c2c(-c4ccccc4)cccc2n3-c2cccc(-c3ccccc3)c2)OC1(C)C.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)cccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C54H36N2.C36H32BNO2.C24H16BrN.4C18H15P.CH2O3.2K.Pd.H/c1-4-15-37(16-5-1)40-21-12-23-44(33-40)55-50-27-11-10-25-47(50)48-35-42(29-31-51(48)55)43-30-32-52-49(36-43)54-46(39-19-8-3-9-20-39)26-14-28-53(54)56(52)45-24-13-22-41(34-45)38-17-6-2-7-18-38;1-35(2)36(3,4)40-37(39-35)28-21-22-32-31(24-28)34-30(26-15-9-6-10-16-26)19-12-20-33(34)38(32)29-18-11-17-27(23-29)25-13-7-5-8-14-25;25-19-13-14-24-22(16-19)21-11-4-5-12-23(21)26(24)20-10-6-9-18(15-20)17-7-2-1-3-8-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-4-3;;;;/h1-36H;5-24H,1-4H3;1-16H;4*1-15H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
InChIKeySDTKCQANDZSPRR-UHFFFAOYSA-M
MW2928.48 g/mol
LogP36.51
Rot. Bonds25

About dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane)

dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane) (PubChem CID 161086182) has the molecular formula C187H146BBrK2N4O5P4Pd and a molecular weight of 2928.48 g/mol. Its IUPAC name is dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namedipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane)
PubChem CID161086182
Molecular FormulaC187H146BBrK2N4O5P4Pd
Molecular Weight2928.48 g/mol
Exact Mass2924.78
IUPAC Namedipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane)
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2)c1.CC1(C)OB(c2ccc3c(c2)c2c(-c4ccccc4)cccc2n3-c2cccc(-c3ccccc3)c2)OC1(C)C.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)cccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C54H36N2.C36H32BNO2.C24H16BrN.4C18H15P.CH2O3.2K.Pd.H/c1-4-15-37(16-5-1)40-21-12-23-44(33-40)55-50-27-11-10-25-47(50)48-35-42(29-31-51(48)55)43-30-32-52-49(36-43)54-46(39-19-8-3-9-20-39)26-14-28-53(54)56(52)45-24-13-22-41(34-45)38-17-6-2-7-18-38;1-35(2)36(3,4)40-37(39-35)28-21-22-32-31(24-28)34-30(26-15-9-6-10-16-26)19-12-20-33(34)38(32)29-18-11-17-27(23-29)25-13-7-5-8-14-25;25-19-13-14-24-22(16-19)21-11-4-5-12-23(21)26(24)20-10-6-9-18(15-20)17-7-2-1-3-8-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-4-3;;;;/h1-36H;5-24H,1-4H3;1-16H;4*1-15H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
InChIKeySDTKCQANDZSPRR-UHFFFAOYSA-M
XLogP36.51
TPSA87.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms205
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002928.48
LogP ≤ 536.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

3-bromo-6-phenyl-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158301935
3-(8-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-phenyl-3-[8-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;9-phenyl-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-yl]carbazole
CID 159896388
5-bromo-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;molecular hydrogen;hydroiodide
CID 163931465
3-[9-(3-bromophenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158893263
ethane;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;5,14,23-tribromo-9,9,18,18,27,27-hexamethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 162017158
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
1-bromo-3-(3-bromophenyl)benzene;3,6-dibromo-9-phenylcarbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 159669749
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane)?
The IUPAC name of dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane) (CID 161086182) is dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane).
What is the SMILES notation for dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane)?
The canonical SMILES for dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane) is Brc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2)c1.CC1(C)OB(c2ccc3c(c2)c2c(-c4ccccc4)cccc2n3-c2cccc(-c3ccccc3)c2)OC1(C)C.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)cccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane)?
The InChIKey is SDTKCQANDZSPRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C54H36N2.C36H32BNO2.C24H16BrN.4C18H15P.CH2O3.2K.Pd.H/c1-4-15-37(16-5-1)40-21-12-23-44(33-40)55-50-27-11-10-25-47(50)48-35-42(29-31-51(48)55)43-30-32-52-49(36-43)54-46(39-19-8-3-9-20-39)26-14-28-53(54)56(52)45-24-13-22-41(34-45)38-17-6-2-7-18-38;1-35(2)36(3,4)40-37(39-35)28-21-22-32-31(24-28)34-30(26-15-9-6-10-16-26)19-12-20-33(34)38(32)29-18-11-17-27(23-29)25-13-7-5-8-14-25;25-19-13-14-24-22(16-19)21-11-4-5-12-23(21)26(24)20-10-6-9-18(15-20)17-7-2-1-3-8-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-4-3;;;;/h1-36H;5-24H,1-4H3;1-16H;4*1-15H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1.
What are the key properties of dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane)?
dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane) has a molecular weight of 2928.48 g/mol, XLogP of 36.51, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-bromo-9-(3-phenylphenyl)carbazole;hydride;oxido formate;palladium;5-phenyl-9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;5-phenyl-9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;tetrakis(triphenylphosphane) is sourced from PubChem (CID 161086182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).