carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium

C89H114F2HfN2O4-2 — CID 140777343

About carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium

carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium (PubChem CID 140777343) has the molecular formula C89H114F2HfN2O4-2 and a molecular weight of 1492.39 g/mol. Its IUPAC name is carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium.

Molecular Properties

• Compound Name: carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium
• PubChem CID: 140777343
• Molecular Formula: C89H114F2HfN2O4-2
• Molecular Weight: 1492.39 g/mol
• Exact Mass: 1492.82
• IUPAC Name: carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium
• SMILES: [CH2-][O+](CCC[O+]([CH2-])c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.[CH3-].[CH3-].[Hf]
• InChI: InChI=1S/C87H108F2N2O4.2CH3.Hf/c1-52-38-60(88)48-68(66-44-58(86(21,22)50-80(3,4)5)46-74(76(66)92)90-70-32-28-54(82(9,10)11)40-62(70)63-41-55(83(12,13)14)29-33-71(63)90)78(52)94(25)36-27-37-95(26)79-53(2)39-61(89)49-69(79)67-45-59(87(23,24)51-81(6,7)8)47-75(77(67)93)91-72-34-30-56(84(15,16)17)42-64(72)65-43-57(85(18,19)20)31-35-73(65)91;;;/h28-35,38-49,92-93H,25-27,36-37,50-51H2,1-24H3;2*1H3;/q;2*-1
• InChIKey: UCLMDCQHTNKQPT-UHFFFAOYSA-N
• XLogP: 26.24
• TPSA: 55.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1492.39
LogP ≤ 5	26.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium?

The IUPAC name of carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium (CID 140777343) is carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium.

What is the SMILES notation for carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium?

The canonical SMILES for carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium is [CH2-][O+](CCC[O+]([CH2-])c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.[CH3-].[CH3-].[Hf].

What is the InChIKey of carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium?

The InChIKey is UCLMDCQHTNKQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H108F2N2O4.2CH3.Hf/c1-52-38-60(88)48-68(66-44-58(86(21,22)50-80(3,4)5)46-74(76(66)92)90-70-32-28-54(82(9,10)11)40-62(70)63-41-55(83(12,13)14)29-33-71(63)90)78(52)94(25)36-27-37-95(26)79-53(2)39-61(89)49-69(79)67-45-59(87(23,24)51-81(6,7)8)47-75(77(67)93)91-72-34-30-56(84(15,16)17)42-64(72)65-43-57(85(18,19)20)31-35-73(65)91;;;/h28-35,38-49,92-93H,25-27,36-37,50-51H2,1-24H3;2*1H3;/q;2*-1;.

What are the key properties of carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium?

carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium has a molecular weight of 1492.39 g/mol, XLogP of 26.24, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[3-[[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]propyl]-methanidyloxidanium;hafnium is sourced from PubChem (CID 140777343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).