carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium

C72H76F6HfN2O4-2 — CID 158487209

About carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium

carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium (PubChem CID 158487209) has the molecular formula C72H76F6HfN2O4-2 and a molecular weight of 1325.89 g/mol. Its IUPAC name is carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium.

Molecular Properties

• Compound Name: carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium
• PubChem CID: 158487209
• Molecular Formula: C72H76F6HfN2O4-2
• Molecular Weight: 1325.89 g/mol
• Exact Mass: 1326.52
• IUPAC Name: carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium
• SMILES: Cc1cc(-c2c(OCCCCOc3cc(F)c(F)c(F)c3-c3cc(C)cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3O)cc(F)c(F)c2F)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.[CH3-].[CH3-].[Hf]
• InChI: InChI=1S/C70H70F6N2O4.2CH3.Hf/c1-37-27-47(65(79)55(29-37)77-51-21-17-39(67(3,4)5)31-43(51)44-32-40(68(6,7)8)18-22-52(44)77)59-57(35-49(71)61(73)63(59)75)81-25-15-16-26-82-58-36-50(72)62(74)64(76)60(58)48-28-38(2)30-56(66(48)80)78-53-23-19-41(69(9,10)11)33-45(53)46-34-42(70(12,13)14)20-24-54(46)78;;;/h17-24,27-36,79-80H,15-16,25-26H2,1-14H3;2*1H3;/q;2*-1
• InChIKey: PBQFYOLSIZWXEK-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1325.89
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium?

The IUPAC name of carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium (CID 158487209) is carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium.

What is the SMILES notation for carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium?

The canonical SMILES for carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium is Cc1cc(-c2c(OCCCCOc3cc(F)c(F)c(F)c3-c3cc(C)cc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)c3O)cc(F)c(F)c2F)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.[CH3-].[CH3-].[Hf].

What is the InChIKey of carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium?

The InChIKey is PBQFYOLSIZWXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H70F6N2O4.2CH3.Hf/c1-37-27-47(65(79)55(29-37)77-51-21-17-39(67(3,4)5)31-43(51)44-32-40(68(6,7)8)18-22-52(44)77)59-57(35-49(71)61(73)63(59)75)81-25-15-16-26-82-58-36-50(72)62(74)64(76)60(58)48-28-38(2)30-56(66(48)80)78-53-23-19-41(69(9,10)11)33-45(53)46-34-42(70(12,13)14)20-24-54(46)78;;;/h17-24,27-36,79-80H,15-16,25-26H2,1-14H3;2*1H3;/q;2*-1;.

What are the key properties of carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium?

carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium has a molecular weight of 1325.89 g/mol, XLogP of 20.40, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium is sourced from PubChem (CID 158487209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).