carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium

C55H67HfN2O-3 — CID 162463132

About carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium

carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium (PubChem CID 162463132) has the molecular formula C55H67HfN2O-3 and a molecular weight of 950.64 g/mol. Its IUPAC name is carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium.

Molecular Properties

• Compound Name: carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium
• PubChem CID: 162463132
• Molecular Formula: C55H67HfN2O-3
• Molecular Weight: 950.64 g/mol
• Exact Mass: 951.47
• IUPAC Name: carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium
• SMILES: CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(-c2ccccc2-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2O)n1.[CH3-].[CH3-].[Hf]
• InChI: InChI=1S/C53H61N2O.2CH3.Hf/c1-33(2)39-20-13-16-23-45(39)50(55-49-40(34(3)4)24-17-25-41(49)35(5)6)48-29-19-28-47(54-48)44-22-15-14-21-43(44)46-27-18-26-42(51(46)56)36-30-37(52(7,8)9)32-38(31-36)53(10,11)12;;;/h13-35,50H,1-12H3,(H,54,56);2*1H3;/q3*-1
• InChIKey: CUTPNOIQLVBWFE-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 47.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.64
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium?

The IUPAC name of carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium (CID 162463132) is carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium.

What is the SMILES notation for carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium?

The canonical SMILES for carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium is CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(-c2ccccc2-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2O)n1.[CH3-].[CH3-].[Hf].

What is the InChIKey of carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium?

The InChIKey is CUTPNOIQLVBWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H61N2O.2CH3.Hf/c1-33(2)39-20-13-16-23-45(39)50(55-49-40(34(3)4)24-17-25-41(49)35(5)6)48-29-19-28-47(54-48)44-22-15-14-21-43(44)46-27-18-26-42(51(46)56)36-30-37(52(7,8)9)32-38(31-36)53(10,11)12;;;/h13-35,50H,1-12H3,(H,54,56);2*1H3;/q3*-1;.

What are the key properties of carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium?

carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium has a molecular weight of 950.64 g/mol, XLogP of 16.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[[6-[2-[3-(3,5-ditert-butylphenyl)-2-hydroxyphenyl]phenyl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide;hafnium is sourced from PubChem (CID 162463132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).