2-[[2-(dimethylamino)ethyl-[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene;bis(zirconium(4+))

C139H144N4O4Zr2+2 — CID 160969162

About 2-[[2-(dimethylamino)ethyl-[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene;bis(zirconium(4+))

2-[[2-(dimethylamino)ethyl-[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene;bis(zirconium(4+)) (PubChem CID 160969162) has the molecular formula C139H144N4O4Zr2+2 and a molecular weight of 2117.15 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene;bis(zirconium(4+)).

Molecular Properties

• Compound Name: 2-[[2-(dimethylamino)ethyl-[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene;bis(zirconium(4+))
• PubChem CID: 160969162
• Molecular Formula: C139H144N4O4Zr2+2
• Molecular Weight: 2117.15 g/mol
• Exact Mass: 2112.93
• IUPAC Name: 2-[[2-(dimethylamino)ethyl-[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene;bis(zirconium(4+))
• SMILES: C.C.Cc1cc(CN(CCN(C)C)Cc2cc(C)cc(C3(C)c4ccccc4-c4ccccc43)c2O)c(O)c(C2(C)c3ccccc3-c3ccccc32)c1.Cc1cc(CN(CCN(C)C)Cc2cccc(C3(C)c4ccccc4-c4ccccc43)c2O)c(O)c(C2(C)c3ccccc3-c3ccccc32)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4].[Zr+4]
• InChI: InChI=1S/C48H48N2O2.C47H46N2O2.6C7H7.2CH4.2Zr/c1-31-25-33(45(51)43(27-31)47(3)39-19-11-7-15-35(39)36-16-8-12-20-40(36)47)29-50(24-23-49(5)6)30-34-26-32(2)28-44(46(34)52)48(4)41-21-13-9-17-37(41)38-18-10-14-22-42(38)48;1-31-27-33(45(51)43(28-31)47(3)40-22-12-8-18-36(40)37-19-9-13-23-41(37)47)30-49(26-25-48(4)5)29-32-15-14-24-42(44(32)50)46(2)38-20-10-6-16-34(38)35-17-7-11-21-39(35)46;6*1-7-5-3-2-4-6-7;;;;/h7-22,25-28,51-52H,23-24,29-30H2,1-6H3;6-24,27-28,50-51H,25-26,29-30H2,1-5H3;6*2-6H,1H2;2*1H4;;/q;;6*-1;;;2*+4
• InChIKey: IEJUDVGAEWWYTE-UHFFFAOYSA-N
• XLogP: 32.07
• TPSA: 93.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2117.15
LogP ≤ 5	32.07
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 2-[[2-(dimethylamino)ethyl-[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene;bis(zirconium(4+))?

The IUPAC name of 2-[[2-(dimethylamino)ethyl-[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene;bis(zirconium(4+)) (CID 160969162) is 2-[[2-(dimethylamino)ethyl-[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene;bis(zirconium(4+)).

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

The canonical SMILES for 2-[[2-(dimethylamino)ethyl-[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene;bis(zirconium(4+)) is C.C.Cc1cc(CN(CCN(C)C)Cc2cc(C)cc(C3(C)c4ccccc4-c4ccccc43)c2O)c(O)c(C2(C)c3ccccc3-c3ccccc32)c1.Cc1cc(CN(CCN(C)C)Cc2cccc(C3(C)c4ccccc4-c4ccccc43)c2O)c(O)c(C2(C)c3ccccc3-c3ccccc32)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4].[Zr+4].

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

The InChIKey is IEJUDVGAEWWYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48N2O2.C47H46N2O2.6C7H7.2CH4.2Zr/c1-31-25-33(45(51)43(27-31)47(3)39-19-11-7-15-35(39)36-16-8-12-20-40(36)47)29-50(24-23-49(5)6)30-34-26-32(2)28-44(46(34)52)48(4)41-21-13-9-17-37(41)38-18-10-14-22-42(38)48;1-31-27-33(45(51)43(28-31)47(3)40-22-12-8-18-36(40)37-19-9-13-23-41(37)47)30-49(26-25-48(4)5)29-32-15-14-24-42(44(32)50)46(2)38-20-10-6-16-34(38)35-17-7-11-21-39(35)46;6*1-7-5-3-2-4-6-7;;;;/h7-22,25-28,51-52H,23-24,29-30H2,1-6H3;6-24,27-28,50-51H,25-26,29-30H2,1-5H3;6*2-6H,1H2;2*1H4;;/q;;6*-1;;;2*+4.

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

2-[[2-(dimethylamino)ethyl-[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene;bis(zirconium(4+)) has a molecular weight of 2117.15 g/mol, XLogP of 32.07, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(dimethylamino)ethyl-[[2-hydroxy-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;2-[[2-(dimethylamino)ethyl-[[2-hydroxy-5-methyl-3-(9-methylfluoren-9-yl)phenyl]methyl]amino]methyl]-4-methyl-6-(9-methylfluoren-9-yl)phenol;methane;methanidylbenzene;bis(zirconium(4+)) is sourced from PubChem (CID 160969162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).