methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+))

C264H332N16O3Zr7-18 — CID 160728045

About methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+))

methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+)) (PubChem CID 160728045) has the molecular formula C264H332N16O3Zr7-18 and a molecular weight of 4416.24 g/mol. Its IUPAC name is methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+)).

Molecular Properties

• Compound Name: methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+))
• PubChem CID: 160728045
• Molecular Formula: C264H332N16O3Zr7-18
• Molecular Weight: 4416.24 g/mol
• Exact Mass: 4403.97
• IUPAC Name: methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+))
• SMILES: Cc1c(C)c(C)c([N-]CCN(C)CC[N-]c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c([N-]CCOCC[N-]c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c([N-]CC[CH-]CC[N-]c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1cc(C)c([N-]CCN(C)CC[N-]c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c([N-]CCOCC[N-]c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c([N-]CC[CH-]CC[N-]c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc([N-]CCOCC[N-]c2ccc(C)cc2)cc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4].[Zr+4].[Zr+4].[Zr].[Zr].[Zr].[Zr]
• InChI: InChI=1S/C27H41N3.C27H39N2.C26H38N2O.C23H33N3.C23H31N2.C22H30N2O.C18H22N2O.14C7H7.7Zr/c1-16-18(3)22(7)26(23(8)19(16)4)28-12-14-30(11)15-13-29-27-24(9)20(5)17(2)21(6)25(27)10;1-16-18(3)22(7)26(23(8)19(16)4)28-14-12-11-13-15-29-27-24(9)20(5)17(2)21(6)25(27)10;1-15-17(3)21(7)25(22(8)18(15)4)27-11-13-29-14-12-28-26-23(9)19(5)16(2)20(6)24(26)10;1-16-12-18(3)22(19(4)13-16)24-8-10-26(7)11-9-25-23-20(5)14-17(2)15-21(23)6;1-16-12-18(3)22(19(4)13-16)24-10-8-7-9-11-25-23-20(5)14-17(2)15-21(23)6;1-15-11-17(3)21(18(4)12-15)23-7-9-25-10-8-24-22-19(5)13-16(2)14-20(22)6;1-15-3-7-17(8-4-15)19-11-13-21-14-12-20-18-9-5-16(2)6-10-18;14*1-7-5-3-2-4-6-7;;;;;;;/h12-15H2,1-11H3;11H,12-15H2,1-10H3;11-14H2,1-10H3;12-15H,8-11H2,1-7H3;7,12-15H,8-11H2,1-6H3;11-14H,7-10H2,1-6H3;3-10H,11-14H2,1-2H3;14*2-6H,1H2;;;;;;;/q-2;-3;2*-2;-3;2*-2;14*-1;;;;;3*+4
• InChIKey: NQCZXPSGYKBQAK-UHFFFAOYSA-N
• XLogP: 74.23
• TPSA: 231.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 56
• Heavy Atoms: 290
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	4416.24
LogP ≤ 5	74.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+))?

The IUPAC name of methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+)) (CID 160728045) is methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+)).

What is the SMILES notation for methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+))?

The canonical SMILES for methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+)) is Cc1c(C)c(C)c([N-]CCN(C)CC[N-]c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c([N-]CCOCC[N-]c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1c(C)c(C)c([N-]CC[CH-]CC[N-]c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.Cc1cc(C)c([N-]CCN(C)CC[N-]c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c([N-]CCOCC[N-]c2c(C)cc(C)cc2C)c(C)c1.Cc1cc(C)c([N-]CC[CH-]CC[N-]c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc([N-]CCOCC[N-]c2ccc(C)cc2)cc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4].[Zr+4].[Zr+4].[Zr].[Zr].[Zr].[Zr].

What is the InChIKey of methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+))?

The InChIKey is NQCZXPSGYKBQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3.C27H39N2.C26H38N2O.C23H33N3.C23H31N2.C22H30N2O.C18H22N2O.14C7H7.7Zr/c1-16-18(3)22(7)26(23(8)19(16)4)28-12-14-30(11)15-13-29-27-24(9)20(5)17(2)21(6)25(27)10;1-16-18(3)22(7)26(23(8)19(16)4)28-14-12-11-13-15-29-27-24(9)20(5)17(2)21(6)25(27)10;1-15-17(3)21(7)25(22(8)18(15)4)27-11-13-29-14-12-28-26-23(9)19(5)16(2)20(6)24(26)10;1-16-12-18(3)22(19(4)13-16)24-8-10-26(7)11-9-25-23-20(5)14-17(2)15-21(23)6;1-16-12-18(3)22(19(4)13-16)24-10-8-7-9-11-25-23-20(5)14-17(2)15-21(23)6;1-15-11-17(3)21(18(4)12-15)23-7-9-25-10-8-24-22-19(5)13-16(2)14-20(22)6;1-15-3-7-17(8-4-15)19-11-13-21-14-12-20-18-9-5-16(2)6-10-18;14*1-7-5-3-2-4-6-7;;;;;;;/h12-15H2,1-11H3;11H,12-15H2,1-10H3;11-14H2,1-10H3;12-15H,8-11H2,1-7H3;7,12-15H,8-11H2,1-6H3;11-14H,7-10H2,1-6H3;3-10H,11-14H2,1-2H3;14*2-6H,1H2;;;;;;;/q-2;-3;2*-2;-3;2*-2;14*-1;;;;;3*+4.

What are the key properties of methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+))?

methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+)) has a molecular weight of 4416.24 g/mol, XLogP of 74.23, 56 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methanidylbenzene;2-[methyl-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethyl]amino]ethyl-(2,3,4,5,6-pentamethylphenyl)azanide;(4-methylphenyl)-[2-[2-(4-methylphenyl)azanidylethoxy]ethyl]azanide;2-[methyl-[2-(2,4,6-trimethylphenyl)azanidylethyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,3,4,5,6-pentamethylphenyl)azanidylethoxy]ethyl]azanide;(2,3,4,5,6-pentamethylphenyl)-[5-(2,3,4,5,6-pentamethylphenyl)azanidylpentyl]azanide;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethoxy]ethyl]azanide;(2,4,6-trimethylphenyl)-[5-(2,4,6-trimethylphenyl)azanidylpentyl]azanide;zirconium;tris(zirconium(4+)) is sourced from PubChem (CID 160728045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).