carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium

C59H54HfN2O4-2 — CID 164801993

About carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium

carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium (PubChem CID 164801993) has the molecular formula C59H54HfN2O4-2 and a molecular weight of 1033.58 g/mol. Its IUPAC name is carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium.

Molecular Properties

• Compound Name: carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium
• PubChem CID: 164801993
• Molecular Formula: C59H54HfN2O4-2
• Molecular Weight: 1033.58 g/mol
• Exact Mass: 1034.36
• IUPAC Name: carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium
• SMILES: Cc1cc(-c2ccccc2OC[C@@H]2CCCC[C@H]2COc2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.[CH3-].[CH3-].[Hf]
• InChI: InChI=1S/C57H48N2O4.2CH3.Hf/c1-37-33-47(57(61)53(34-37)59-50-28-12-6-21-42(50)43-22-7-13-29-51(43)59)45-24-9-15-32-55(45)63-36-39-18-3-2-17-38(39)35-62-54-31-14-8-23-44(54)46-25-16-30-52(56(46)60)58-48-26-10-4-19-40(48)41-20-5-11-27-49(41)58;;;/h4-16,19-34,38-39,60-61H,2-3,17-18,35-36H2,1H3;2*1H3;/q;2*-1;/t38-,39-;;;/m0.../s1
• InChIKey: YHYOVSLFXQUVCB-ZLGOUXJDSA-N
• XLogP: 15.10
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.58
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium?

The IUPAC name of carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium (CID 164801993) is carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium.

What is the SMILES notation for carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium?

The canonical SMILES for carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium is Cc1cc(-c2ccccc2OC[C@@H]2CCCC[C@H]2COc2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.[CH3-].[CH3-].[Hf].

What is the InChIKey of carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium?

The InChIKey is YHYOVSLFXQUVCB-ZLGOUXJDSA-N. The full InChI is InChI=1S/C57H48N2O4.2CH3.Hf/c1-37-33-47(57(61)53(34-37)59-50-28-12-6-21-42(50)43-22-7-13-29-51(43)59)45-24-9-15-32-55(45)63-36-39-18-3-2-17-38(39)35-62-54-31-14-8-23-44(54)46-25-16-30-52(56(46)60)58-48-26-10-4-19-40(48)41-20-5-11-27-49(41)58;;;/h4-16,19-34,38-39,60-61H,2-3,17-18,35-36H2,1H3;2*1H3;/q;2*-1;/t38-,39-;;;/m0.../s1.

What are the key properties of carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium?

carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium has a molecular weight of 1033.58 g/mol, XLogP of 15.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium is sourced from PubChem (CID 164801993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).