7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane)

C155H137AlBCl10N11O7P4Pd — CID 158264150

About 7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane)

7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane) (PubChem CID 158264150) has the molecular formula C155H137AlBCl10N11O7P4Pd and a molecular weight of 2888.51 g/mol. Its IUPAC name is 7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane)
• PubChem CID: 158264150
• Molecular Formula: C155H137AlBCl10N11O7P4Pd
• Molecular Weight: 2888.51 g/mol
• Exact Mass: 2881.55
• IUPAC Name: 7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane)
• SMILES: COc1ccc(CN2C(=O)C(Cc3ccccc3Cl)N=C(Cl)c3cc(Cl)ccc32)cc1.COc1ccc(CN2C(=O)C(Cc3ccccc3Cl)N=C(c3cn[nH]c3C)c3cc(Cl)ccc32)cc1.Cc1[nH]ncc1B1OC(C)(C)C(C)(C)O1.Cc1[nH]ncc1C1=NC(Cc2ccccc2Cl)C(=O)Cc2ccc(Cl)cc21.Cl[Al](Cl)Cl.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C28H24Cl2N4O2.C24H19Cl3N2O2.C21H17Cl2N3O.4C18H15P.C10H17BN2O2.Al.3ClH.Pd/c1-17-23(15-31-33-17)27-22-14-20(29)9-12-26(22)34(16-18-7-10-21(36-2)11-8-18)28(35)25(32-27)13-19-5-3-4-6-24(19)30;1-31-18-9-6-15(7-10-18)14-29-22-11-8-17(25)13-19(22)23(27)28-21(24(29)30)12-16-4-2-3-5-20(16)26;1-12-17(11-24-26-12)21-16-10-15(22)7-6-13(16)9-20(27)19(25-21)8-14-4-2-3-5-18(14)23;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11;;;;;/h3-12,14-15,25H,13,16H2,1-2H3,(H,31,33);2-11,13,21H,12,14H2,1H3;2-7,10-11,19H,8-9H2,1H3,(H,24,26);4*1-15H;6H,1-5H3,(H,12,13);;3*1H;/q;;;;;;;;+3;;;;/p-3
• InChIKey: GIFQQRRIWLCXDL-UHFFFAOYSA-K
• XLogP: 33.26
• TPSA: 217.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 27
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2888.51
LogP ≤ 5	33.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane)?

The IUPAC name of 7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane) (CID 158264150) is 7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane).

What is the SMILES notation for 7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane)?

The canonical SMILES for 7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane) is COc1ccc(CN2C(=O)C(Cc3ccccc3Cl)N=C(Cl)c3cc(Cl)ccc32)cc1.COc1ccc(CN2C(=O)C(Cc3ccccc3Cl)N=C(c3cn[nH]c3C)c3cc(Cl)ccc32)cc1.Cc1[nH]ncc1B1OC(C)(C)C(C)(C)O1.Cc1[nH]ncc1C1=NC(Cc2ccccc2Cl)C(=O)Cc2ccc(Cl)cc21.Cl[Al](Cl)Cl.[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 7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane)?

The InChIKey is GIFQQRRIWLCXDL-UHFFFAOYSA-K. The full InChI is InChI=1S/C28H24Cl2N4O2.C24H19Cl3N2O2.C21H17Cl2N3O.4C18H15P.C10H17BN2O2.Al.3ClH.Pd/c1-17-23(15-31-33-17)27-22-14-20(29)9-12-26(22)34(16-18-7-10-21(36-2)11-8-18)28(35)25(32-27)13-19-5-3-4-6-24(19)30;1-31-18-9-6-15(7-10-18)14-29-22-11-8-17(25)13-19(22)23(27)28-21(24(29)30)12-16-4-2-3-5-20(16)26;1-12-17(11-24-26-12)21-16-10-15(22)7-6-13(16)9-20(27)19(25-21)8-14-4-2-3-5-18(14)23;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11;;;;;/h3-12,14-15,25H,13,16H2,1-2H3,(H,31,33);2-11,13,21H,12,14H2,1H3;2-7,10-11,19H,8-9H2,1H3,(H,24,26);4*1-15H;6H,1-5H3,(H,12,13);;3*1H;/q;;;;;;;;+3;;;;/p-3.

What are the key properties of 7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane)?

7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane) has a molecular weight of 2888.51 g/mol, XLogP of 33.26, 27 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-one;8-chloro-3-[(2-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)-3,5-dihydro-2-benzazepin-4-one;5,7-dichloro-3-[(2-chlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;palladium;trichloroalumane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158264150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).