dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)

C173H177BBr2K2N6O7P4Pd — CID 160768703

About dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)

dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) (PubChem CID 160768703) has the molecular formula C173H177BBr2K2N6O7P4Pd and a molecular weight of 2931.49 g/mol. Its IUPAC name is dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 160768703
• Molecular Formula: C173H177BBr2K2N6O7P4Pd
• Molecular Weight: 2931.49 g/mol
• Exact Mass: 2926.94
• IUPAC Name: dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
• SMILES: CCCCc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(CCCNC(=O)OC(C)(C)C)c4)ccc2n3CC)c1.CCCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1.CCn1c2ccc(-c3cccc(CCCN)c3)cc2c2cc(-c3cccc(CCCN)c3)ccc21.CCn1c2ccc(Br)cc2c2cc(Br)ccc21.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C38H44N2O2.C32H35N3.4C18H15P.C16H25BO2.C14H11Br2N.CH2O3.2K.Pd.H/c1-6-8-12-27-13-9-16-29(23-27)31-18-20-35-33(25-31)34-26-32(19-21-36(34)40(35)7-2)30-17-10-14-28(24-30)15-11-22-39-37(41)42-38(3,4)5;1-2-35-31-15-13-27(25-11-3-7-23(19-25)9-5-17-33)21-29(31)30-22-28(14-16-32(30)35)26-12-4-8-24(20-26)10-6-18-34;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-7-9-13-10-8-11-14(12-13)17-18-15(2,3)16(4,5)19-17;1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17;2-1-4-3;;;;/h9-10,13-14,16-21,23-26H,6-8,11-12,15,22H2,1-5H3,(H,39,41);3-4,7-8,11-16,19-22H,2,5-6,9-10,17-18,33-34H2,1H3;4*1-15H;8,10-12H,6-7,9H2,1-5H3;3-8H,2H2,1H3;1,3H;;;;/q;;;;;;;;;2*+1;;-1/p-1
• InChIKey: KJHRSGDZNMFDGN-UHFFFAOYSA-M
• XLogP: 31.88
• TPSA: 172.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 37
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2931.49
LogP ≤ 5	31.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) (CID 160768703) is dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) is CCCCc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(CCCNC(=O)OC(C)(C)C)c4)ccc2n3CC)c1.CCCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1.CCn1c2ccc(-c3cccc(CCCN)c3)cc2c2cc(-c3cccc(CCCN)c3)ccc21.CCn1c2ccc(Br)cc2c2cc(Br)ccc21.O=CO[O-].[H-].[K+].[K+].[Pd].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-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)?

The InChIKey is KJHRSGDZNMFDGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C38H44N2O2.C32H35N3.4C18H15P.C16H25BO2.C14H11Br2N.CH2O3.2K.Pd.H/c1-6-8-12-27-13-9-16-29(23-27)31-18-20-35-33(25-31)34-26-32(19-21-36(34)40(35)7-2)30-17-10-14-28(24-30)15-11-22-39-37(41)42-38(3,4)5;1-2-35-31-15-13-27(25-11-3-7-23(19-25)9-5-17-33)21-29(31)30-22-28(14-16-32(30)35)26-12-4-8-24(20-26)10-6-18-34;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-7-9-13-10-8-11-14(12-13)17-18-15(2,3)16(4,5)19-17;1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17;2-1-4-3;;;;/h9-10,13-14,16-21,23-26H,6-8,11-12,15,22H2,1-5H3,(H,39,41);3-4,7-8,11-16,19-22H,2,5-6,9-10,17-18,33-34H2,1H3;4*1-15H;8,10-12H,6-7,9H2,1-5H3;3-8H,2H2,1H3;1,3H;;;;/q;;;;;;;;;2*+1;;-1/p-1.

What are the key properties of dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)?

dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2931.49 g/mol, XLogP of 31.88, 37 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;3-[3-[6-[3-(3-aminopropyl)phenyl]-9-ethylcarbazol-3-yl]phenyl]propan-1-amine;tert-butyl N-[3-[3-[6-(3-butylphenyl)-9-ethylcarbazol-3-yl]phenyl]propyl]carbamate;2-(3-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3,6-dibromo-9-ethylcarbazole;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 160768703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).