hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene

C137H138Hf2N2O6-2 — CID 162005654

About hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene

hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene (PubChem CID 162005654) has the molecular formula C137H138Hf2N2O6-2 and a molecular weight of 2265.60 g/mol. Its IUPAC name is hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene.

Molecular Properties

• Compound Name: hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene
• PubChem CID: 162005654
• Molecular Formula: C137H138Hf2N2O6-2
• Molecular Weight: 2265.60 g/mol
• Exact Mass: 2266.95
• IUPAC Name: hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene
• SMILES: C.C.COCCN(Cc1cc(C)cc(C2(C)c3ccccc3-c3ccccc32)c1O)Cc1cc(C)cc(C2(C)c3ccccc3-c3ccccc32)c1O.COCCN(Cc1cccc(C2(C)c3ccccc3-c3ccccc32)c1O)Cc1cc(C)cc(C2(C)c3ccccc3-c3ccccc32)c1O.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4].[Hf]
• InChI: InChI=1S/C47H45NO3.C46H43NO3.6C7H7.2CH4.2Hf/c1-30-24-32(44(49)42(26-30)46(3)38-18-10-6-14-34(38)35-15-7-11-19-39(35)46)28-48(22-23-51-5)29-33-25-31(2)27-43(45(33)50)47(4)40-20-12-8-16-36(40)37-17-9-13-21-41(37)47;1-30-26-32(44(49)42(27-30)46(3)39-21-11-7-17-35(39)36-18-8-12-22-40(36)46)29-47(24-25-50-4)28-31-14-13-23-41(43(31)48)45(2)37-19-9-5-15-33(37)34-16-6-10-20-38(34)45;6*1-7-5-3-2-4-6-7;;;;/h6-21,24-27,49-50H,22-23,28-29H2,1-5H3;5-23,26-27,48-49H,24-25,28-29H2,1-4H3;6*2-6H,1H2;2*1H4;;/q;;6*-1;;;;+4
• InChIKey: DFDPNBAJYASFQC-UHFFFAOYSA-N
• XLogP: 32.24
• TPSA: 105.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2265.60
LogP ≤ 5	32.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene?

The IUPAC name of hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene (CID 162005654) is hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene.

What is the SMILES notation for hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene?

The canonical SMILES for hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene is C.C.COCCN(Cc1cc(C)cc(C2(C)c3ccccc3-c3ccccc32)c1O)Cc1cc(C)cc(C2(C)c3ccccc3-c3ccccc32)c1O.COCCN(Cc1cccc(C2(C)c3ccccc3-c3ccccc32)c1O)Cc1cc(C)cc(C2(C)c3ccccc3-c3ccccc32)c1O.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4].[Hf].

What is the InChIKey of hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene?

The InChIKey is DFDPNBAJYASFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H45NO3.C46H43NO3.6C7H7.2CH4.2Hf/c1-30-24-32(44(49)42(26-30)46(3)38-18-10-6-14-34(38)35-15-7-11-19-39(35)46)28-48(22-23-51-5)29-33-25-31(2)27-43(45(33)50)47(4)40-20-12-8-16-36(40)37-17-9-13-21-41(37)47;1-30-26-32(44(49)42(27-30)46(3)39-21-11-7-17-35(39)36-18-8-12-22-40(36)46)29-47(24-25-50-4)28-31-14-13-23-41(43(31)48)45(2)37-19-9-5-15-33(37)34-16-6-10-20-38(34)45;6*1-7-5-3-2-4-6-7;;;;/h6-21,24-27,49-50H,22-23,28-29H2,1-5H3;5-23,26-27,48-49H,24-25,28-29H2,1-4H3;6*2-6H,1H2;2*1H4;;/q;;6*-1;;;;+4.

What are the key properties of hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene?

hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene has a molecular weight of 2265.60 g/mol, XLogP of 32.24, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for hafnium;hafnium(4+);2-[[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl-(2-methoxyethyl)amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene is sourced from PubChem (CID 162005654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).