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

C244H232Hf2N16O8Zr2-6 — CID 161147895

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

bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-(pyridin-2-ylmethyl)amino]ethyl]-4-methylphenol);hafnium;methanidylbenzene;zirconium;zirconium(2+) (PubChem CID 161147895) has the molecular formula C244H232Hf2N16O8Zr2-6 and a molecular weight of 4056.07 g/mol. Its IUPAC name is bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-(pyridin-2-ylmethyl)amino]ethyl]-4-methylphenol);hafnium;methanidylbenzene;zirconium;zirconium(2+).

Molecular Properties

• Compound Name: bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-(pyridin-2-ylmethyl)amino]ethyl]-4-methylphenol);hafnium;methanidylbenzene;zirconium;zirconium(2+)
• PubChem CID: 161147895
• Molecular Formula: C244H232Hf2N16O8Zr2-6
• Molecular Weight: 4056.07 g/mol
• Exact Mass: 4053.53
• IUPAC Name: bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-(pyridin-2-ylmethyl)amino]ethyl]-4-methylphenol);hafnium;methanidylbenzene;zirconium;zirconium(2+)
• SMILES: Cc1cc(CCN(CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)CCN(C)C)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(CCN(CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)CCN(C)C)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(CCN(CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)Cc2ccccn2)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(CCN(CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)Cc2ccccn2)c(O)c(-n2c3ccccc3c3ccccc32)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf].[Hf].[Zr+2].[Zr]
• InChI: InChI=1S/2C48H42N4O2.2C46H46N4O2.8C7H7.2Hf.2Zr/c2*1-32-27-34(47(53)45(29-32)51-41-18-7-3-14-37(41)38-15-4-8-19-42(38)51)22-25-50(31-36-13-11-12-24-49-36)26-23-35-28-33(2)30-46(48(35)54)52-43-20-9-5-16-39(43)40-17-6-10-21-44(40)52;2*1-31-27-33(45(51)43(29-31)49-39-17-9-5-13-35(39)36-14-6-10-18-40(36)49)21-23-48(26-25-47(3)4)24-22-34-28-32(2)30-44(46(34)52)50-41-19-11-7-15-37(41)38-16-8-12-20-42(38)50;8*1-7-5-3-2-4-6-7;;;;/h2*3-21,24,27-30,53-54H,22-23,25-26,31H2,1-2H3;2*5-20,27-30,51-52H,21-26H2,1-4H3;8*2-6H,1H2;;;;/q;;;;8*-1;;;;+2
• InChIKey: ILRPSSVBKYZHDF-UHFFFAOYSA-N
• XLogP: 55.24
• TPSA: 246.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 42
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4056.07
LogP ≤ 5	55.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-(pyridin-2-ylmethyl)amino]ethyl]-4-methylphenol);hafnium;methanidylbenzene;zirconium;zirconium(2+)?

The IUPAC name of bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-(pyridin-2-ylmethyl)amino]ethyl]-4-methylphenol);hafnium;methanidylbenzene;zirconium;zirconium(2+) (CID 161147895) is bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-(pyridin-2-ylmethyl)amino]ethyl]-4-methylphenol);hafnium;methanidylbenzene;zirconium;zirconium(2+).

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

The canonical SMILES for bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-(pyridin-2-ylmethyl)amino]ethyl]-4-methylphenol);hafnium;methanidylbenzene;zirconium;zirconium(2+) is Cc1cc(CCN(CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)CCN(C)C)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(CCN(CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)CCN(C)C)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(CCN(CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)Cc2ccccn2)c(O)c(-n2c3ccccc3c3ccccc32)c1.Cc1cc(CCN(CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)Cc2ccccn2)c(O)c(-n2c3ccccc3c3ccccc32)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf].[Hf].[Zr+2].[Zr].

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

The InChIKey is ILRPSSVBKYZHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H42N4O2.2C46H46N4O2.8C7H7.2Hf.2Zr/c2*1-32-27-34(47(53)45(29-32)51-41-18-7-3-14-37(41)38-15-4-8-19-42(38)51)22-25-50(31-36-13-11-12-24-49-36)26-23-35-28-33(2)30-46(48(35)54)52-43-20-9-5-16-39(43)40-17-6-10-21-44(40)52;2*1-31-27-33(45(51)43(29-31)49-39-17-9-5-13-35(39)36-14-6-10-18-40(36)49)21-23-48(26-25-47(3)4)24-22-34-28-32(2)30-44(46(34)52)50-41-19-11-7-15-37(41)38-16-8-12-20-42(38)50;8*1-7-5-3-2-4-6-7;;;;/h2*3-21,24,27-30,53-54H,22-23,25-26,31H2,1-2H3;2*5-20,27-30,51-52H,21-26H2,1-4H3;8*2-6H,1H2;;;;/q;;;;8*-1;;;;+2.

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

bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-(pyridin-2-ylmethyl)amino]ethyl]-4-methylphenol);hafnium;methanidylbenzene;zirconium;zirconium(2+) has a molecular weight of 4056.07 g/mol, XLogP of 55.24, 42 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-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-(pyridin-2-ylmethyl)amino]ethyl]-4-methylphenol);hafnium;methanidylbenzene;zirconium;zirconium(2+) is sourced from PubChem (CID 161147895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).