bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+)

C231H222Hf2N14O10Zr2- — CID 162271636

About bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+)

bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+) (PubChem CID 162271636) has the molecular formula C231H222Hf2N14O10Zr2- and a molecular weight of 3893.83 g/mol. Its IUPAC name is bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+).

Molecular Properties

• Compound Name: bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+)
• PubChem CID: 162271636
• Molecular Formula: C231H222Hf2N14O10Zr2-
• Molecular Weight: 3893.83 g/mol
• Exact Mass: 3891.43
• IUPAC Name: bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+)
• SMILES: C.COCCN(Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O)Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O.COCCN(Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O)Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O.Cc1cc(CN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(CN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf].[Hf].[Zr+3].[Zr+4]
• InChI: InChI=1S/2C44H42N4O2.2C43H39N3O3.8C7H7.CH4.2Hf.2Zr/c2*1-29-23-31(43(49)41(25-29)47-37-17-9-5-13-33(37)34-14-6-10-18-38(34)47)27-46(22-21-45(3)4)28-32-24-30(2)26-42(44(32)50)48-39-19-11-7-15-35(39)36-16-8-12-20-40(36)48;2*1-28-22-30(42(47)40(24-28)45-36-16-8-4-12-32(36)33-13-5-9-17-37(33)45)26-44(20-21-49-3)27-31-23-29(2)25-41(43(31)48)46-38-18-10-6-14-34(38)35-15-7-11-19-39(35)46;8*1-7-5-3-2-4-6-7;;;;;/h2*5-20,23-26,49-50H,21-22,27-28H2,1-4H3;2*4-19,22-25,47-48H,20-21,26-27H2,1-3H3;8*2-6H,1H2;1H4;;;;/q;;;;8*-1;;;;+3;+4
• InChIKey: IVZIQLSASZEJRC-UHFFFAOYSA-N
• XLogP: 53.64
• TPSA: 239.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3893.83
LogP ≤ 5	53.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

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 bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+)?

The IUPAC name of bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+) (CID 162271636) is bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+).

What is the SMILES notation for bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+)?

The canonical SMILES for bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+) is C.COCCN(Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O)Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O.COCCN(Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O)Cc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O.Cc1cc(CN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(CN(CCN(C)C)Cc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf].[Hf].[Zr+3].[Zr+4].

What is the InChIKey of bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+)?

The InChIKey is IVZIQLSASZEJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H42N4O2.2C43H39N3O3.8C7H7.CH4.2Hf.2Zr/c2*1-29-23-31(43(49)41(25-29)47-37-17-9-5-13-33(37)34-14-6-10-18-38(34)47)27-46(22-21-45(3)4)28-32-24-30(2)26-42(44(32)50)48-39-19-11-7-15-35(39)36-16-8-12-20-40(36)48;2*1-28-22-30(42(47)40(24-28)45-36-16-8-4-12-32(36)33-13-5-9-17-37(33)45)26-44(20-21-49-3)27-31-23-29(2)25-41(43(31)48)46-38-18-10-6-14-34(38)35-15-7-11-19-39(35)46;8*1-7-5-3-2-4-6-7;;;;;/h2*5-20,23-26,49-50H,21-22,27-28H2,1-4H3;2*4-19,22-25,47-48H,20-21,26-27H2,1-3H3;8*2-6H,1H2;1H4;;;;/q;;;;8*-1;;;;+3;+4.

What are the key properties of bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+)?

bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+) has a molecular weight of 3893.83 g/mol, XLogP of 53.64, 36 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+) is sourced from PubChem (CID 162271636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).