acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane)

C214H180Br4N24O20P2PdSi3 — CID 159182900

IUPACacetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane)
SMILESC#C[Si](C)(C)C.C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3ncn4c3CN=C(c3ccccc3)c3cc(C#C)ccc3-4)ncn1-2.CC(=O)O.CC(=O)O.CCOC(=O)c1ncn2c1CN=C(c1ccccc1)c1cc(Br)ccc1-2.C[SiH](C)CC#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3ncn4c3CN=C(c3ccccc3)c3cc(C#C[Si](C)(C)C)ccc3-4)ncn1-2.O=C(O)c1ncn2c1CN=C(c1ccccc1)c1cc(Br)ccc1-2.O=C(OCCCOC(=O)c1ncn2c1CN=C(c1ccccc1)c1cc(Br)ccc1-2)c1ncn2c1CN=C(c1ccccc1)c1cc(Br)ccc1-2.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C49H46N6O4Si2.C43H30N6O4.C39H28Br2N6O4.C20H16BrN3O2.C18H12BrN3O2.2C18H15P.C5H10Si.2C2H4O2.Pd/c1-60(2)26-12-14-34-19-21-40-38(28-34)44(36-15-8-6-9-16-36)50-30-42-46(52-32-54(40)42)48(56)58-24-13-25-59-49(57)47-43-31-51-45(37-17-10-7-11-18-37)39-29-35(23-27-61(3,4)5)20-22-41(39)55(43)33-53-47;1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41;40-26-12-14-30-28(18-26)34(24-8-3-1-4-9-24)42-20-32-36(44-22-46(30)32)38(48)50-16-7-17-51-39(49)37-33-21-43-35(25-10-5-2-6-11-25)29-19-27(41)13-15-31(29)47(33)23-45-37;1-2-26-20(25)19-17-11-22-18(13-6-4-3-5-7-13)15-10-14(21)8-9-16(15)24(17)12-23-19;19-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)20-9-15-17(18(23)24)21-10-22(14)15;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-6(2,3)4;2*1-2(3)4;/h6-11,15-22,28-29,32-33,60H,13,24-26,30-31H2,1-5H3;1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2;1-6,8-15,18-19,22-23H,7,16-17,20-21H2;3-10,12H,2,11H2,1H3;1-8,10H,9H2,(H,23,24);2*1-15H;1H,2-4H3;2*1H3,(H,3,4);
InChIKeyRNYDISCADKBWBM-UHFFFAOYSA-N
MW3980.18 g/mol
LogP38.46
Rot. Bonds36

About acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane)

acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane) (PubChem CID 159182900) has the molecular formula C214H180Br4N24O20P2PdSi3 and a molecular weight of 3980.18 g/mol. Its IUPAC name is acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane).

Molecular Properties

Compound Nameacetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane)
PubChem CID159182900
Molecular FormulaC214H180Br4N24O20P2PdSi3
Molecular Weight3980.18 g/mol
Exact Mass3972.84
IUPAC Nameacetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane)
SMILESC#C[Si](C)(C)C.C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3ncn4c3CN=C(c3ccccc3)c3cc(C#C)ccc3-4)ncn1-2.CC(=O)O.CC(=O)O.CCOC(=O)c1ncn2c1CN=C(c1ccccc1)c1cc(Br)ccc1-2.C[SiH](C)CC#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3ncn4c3CN=C(c3ccccc3)c3cc(C#C[Si](C)(C)C)ccc3-4)ncn1-2.O=C(O)c1ncn2c1CN=C(c1ccccc1)c1cc(Br)ccc1-2.O=C(OCCCOC(=O)c1ncn2c1CN=C(c1ccccc1)c1cc(Br)ccc1-2)c1ncn2c1CN=C(c1ccccc1)c1cc(Br)ccc1-2.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C49H46N6O4Si2.C43H30N6O4.C39H28Br2N6O4.C20H16BrN3O2.C18H12BrN3O2.2C18H15P.C5H10Si.2C2H4O2.Pd/c1-60(2)26-12-14-34-19-21-40-38(28-34)44(36-15-8-6-9-16-36)50-30-42-46(52-32-54(40)42)48(56)58-24-13-25-59-49(57)47-43-31-51-45(37-17-10-7-11-18-37)39-29-35(23-27-61(3,4)5)20-22-41(39)55(43)33-53-47;1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41;40-26-12-14-30-28(18-26)34(24-8-3-1-4-9-24)42-20-32-36(44-22-46(30)32)38(48)50-16-7-17-51-39(49)37-33-21-43-35(25-10-5-2-6-11-25)29-19-27(41)13-15-31(29)47(33)23-45-37;1-2-26-20(25)19-17-11-22-18(13-6-4-3-5-7-13)15-10-14(21)8-9-16(15)24(17)12-23-19;19-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)20-9-15-17(18(23)24)21-10-22(14)15;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-6(2,3)4;2*1-2(3)4;/h6-11,15-22,28-29,32-33,60H,13,24-26,30-31H2,1-5H3;1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2;1-6,8-15,18-19,22-23H,7,16-17,20-21H2;3-10,12H,2,11H2,1H3;1-8,10H,9H2,(H,23,24);2*1-15H;1H,2-4H3;2*1H3,(H,3,4);
InChIKeyRNYDISCADKBWBM-UHFFFAOYSA-N
XLogP38.46
TPSA537.44 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds36
Heavy Atoms268
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003980.18
LogP ≤ 538.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane)?
The IUPAC name of acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane) (CID 159182900) is acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane).
What is the SMILES notation for acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane)?
The canonical SMILES for acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane) is C#C[Si](C)(C)C.C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3ncn4c3CN=C(c3ccccc3)c3cc(C#C)ccc3-4)ncn1-2.CC(=O)O.CC(=O)O.CCOC(=O)c1ncn2c1CN=C(c1ccccc1)c1cc(Br)ccc1-2.C[SiH](C)CC#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCCOC(=O)c3ncn4c3CN=C(c3ccccc3)c3cc(C#C[Si](C)(C)C)ccc3-4)ncn1-2.O=C(O)c1ncn2c1CN=C(c1ccccc1)c1cc(Br)ccc1-2.O=C(OCCCOC(=O)c1ncn2c1CN=C(c1ccccc1)c1cc(Br)ccc1-2)c1ncn2c1CN=C(c1ccccc1)c1cc(Br)ccc1-2.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane)?
The InChIKey is RNYDISCADKBWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H46N6O4Si2.C43H30N6O4.C39H28Br2N6O4.C20H16BrN3O2.C18H12BrN3O2.2C18H15P.C5H10Si.2C2H4O2.Pd/c1-60(2)26-12-14-34-19-21-40-38(28-34)44(36-15-8-6-9-16-36)50-30-42-46(52-32-54(40)42)48(56)58-24-13-25-59-49(57)47-43-31-51-45(37-17-10-7-11-18-37)39-29-35(23-27-61(3,4)5)20-22-41(39)55(43)33-53-47;1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41;40-26-12-14-30-28(18-26)34(24-8-3-1-4-9-24)42-20-32-36(44-22-46(30)32)38(48)50-16-7-17-51-39(49)37-33-21-43-35(25-10-5-2-6-11-25)29-19-27(41)13-15-31(29)47(33)23-45-37;1-2-26-20(25)19-17-11-22-18(13-6-4-3-5-7-13)15-10-14(21)8-9-16(15)24(17)12-23-19;19-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)20-9-15-17(18(23)24)21-10-22(14)15;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-6(2,3)4;2*1-2(3)4;/h6-11,15-22,28-29,32-33,60H,13,24-26,30-31H2,1-5H3;1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2;1-6,8-15,18-19,22-23H,7,16-17,20-21H2;3-10,12H,2,11H2,1H3;1-8,10H,9H2,(H,23,24);2*1-15H;1H,2-4H3;2*1H3,(H,3,4);.
What are the key properties of acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane)?
acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane) has a molecular weight of 3980.18 g/mol, XLogP of 38.46, 36 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-(8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid;ethyl 8-bromo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;3-(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethynyl(trimethyl)silane;palladium;3-[6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl]oxypropyl 8-(3-dimethylsilylprop-1-ynyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;bis(triphenylphosphane) is sourced from PubChem (CID 159182900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).