carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+)

C85H122HfN4O2Zr — CID 159378116

About carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+)

carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+) (PubChem CID 159378116) has the molecular formula C85H122HfN4O2Zr and a molecular weight of 1501.65 g/mol. Its IUPAC name is carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+).

Molecular Properties

• Compound Name: carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+)
• PubChem CID: 159378116
• Molecular Formula: C85H122HfN4O2Zr
• Molecular Weight: 1501.65 g/mol
• Exact Mass: 1500.81
• IUPAC Name: carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+)
• SMILES: CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1ccccn1.CC1CCCCC1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.CC1CCCCC1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Zr+2].[c-]1ccc2ccccc2c1
• InChI: InChI=1S/C27H33N2.2C22H35NO.C10H7.4CH3.Hf.Zr/c1-18(2)21-12-7-8-13-24(21)27(25-16-9-10-17-28-25)29-26-22(19(3)4)14-11-15-23(26)20(5)6;2*1-15-10-8-9-11-19(15)23-14-16-12-17(21(2,3)4)13-18(20(16)24)22(5,6)7;1-2-6-10-8-4-3-7-9(10)5-1;;;;;;/h7-20,27H,1-6H3;2*12-15,19,24H,8-11H2,1-7H3;1-3,5-8H;4*1H3;;/q-1;;;5*-1;+4;+2/b;2*23-14+
• InChIKey: BSKNKPIKAKOROZ-XKIDYVPTSA-N
• XLogP: 24.65
• TPSA: 92.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1501.65
LogP ≤ 5	24.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+)?

The IUPAC name of carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+) (CID 159378116) is carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+).

What is the SMILES notation for carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+)?

The canonical SMILES for carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+) is CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1ccccn1.CC1CCCCC1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.CC1CCCCC1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Zr+2].[c-]1ccc2ccccc2c1.

What is the InChIKey of carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+)?

The InChIKey is BSKNKPIKAKOROZ-XKIDYVPTSA-N. The full InChI is InChI=1S/C27H33N2.2C22H35NO.C10H7.4CH3.Hf.Zr/c1-18(2)21-12-7-8-13-24(21)27(25-16-9-10-17-28-25)29-26-22(19(3)4)14-11-15-23(26)20(5)6;2*1-15-10-8-9-11-19(15)23-14-16-12-17(21(2,3)4)13-18(20(16)24)22(5,6)7;1-2-6-10-8-4-3-7-9(10)5-1;;;;;;/h7-20,27H,1-6H3;2*12-15,19,24H,8-11H2,1-7H3;1-3,5-8H;4*1H3;;/q-1;;;5*-1;+4;+2/b;2*23-14+;;;;;;;.

What are the key properties of carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+)?

carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+) has a molecular weight of 1501.65 g/mol, XLogP of 24.65, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-[(2-propan-2-ylphenyl)-pyridin-2-ylmethyl]azanide;hafnium(4+);2H-naphthalen-2-ide;zirconium(2+) is sourced from PubChem (CID 159378116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).