carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-(2-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));zirconium(2+)

C106H158Hf2N6O2Zr — CID 161002159

About carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-(2-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));zirconium(2+)

carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-(2-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));zirconium(2+) (PubChem CID 161002159) has the molecular formula C106H158Hf2N6O2Zr and a molecular weight of 1996.67 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-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));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-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));zirconium(2+)
• PubChem CID: 161002159
• Molecular Formula: C106H158Hf2N6O2Zr
• Molecular Weight: 1996.67 g/mol
• Exact Mass: 1997.04
• IUPAC Name: carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-(2-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));zirconium(2+)
• SMILES: C/N=C(\C)C(C)(C)[N-]c1c(C(C)C)cccc1C(C)C.CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(-c2[c-]ccc3ccccc23)n1.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-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf+4].[Zr+2]
• InChI: InChI=1S/C37H38N2.2C22H35NO.C18H29N2.7CH3.2Hf.Zr/c1-24(2)28-16-9-10-18-33(28)37(39-36-29(25(3)4)19-12-20-30(36)26(5)6)35-23-13-22-34(38-35)32-21-11-15-27-14-7-8-17-31(27)32;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;1-12(2)15-10-9-11-16(13(3)4)17(15)20-18(6,7)14(5)19-8;;;;;;;;;;/h7-20,22-26,37H,1-6H3;2*12-15,19,24H,8-11H2,1-7H3;9-13H,1-8H3;7*1H3;;;/q-2;;;8*-1;2*+4;+2/b;2*23-14+;19-14+
• InChIKey: OOTWUWDQZMBKRK-RLKBQNCZSA-N
• XLogP: 31.79
• TPSA: 118.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1996.67
LogP ≤ 5	31.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));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-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));zirconium(2+) (CID 161002159) is carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-(2-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));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-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));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-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));zirconium(2+) is C/N=C(\C)C(C)(C)[N-]c1c(C(C)C)cccc1C(C)C.CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(-c2[c-]ccc3ccccc23)n1.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-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf+4].[Zr+2].

What is the InChIKey of carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-(2-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));zirconium(2+)?

The InChIKey is OOTWUWDQZMBKRK-RLKBQNCZSA-N. The full InChI is InChI=1S/C37H38N2.2C22H35NO.C18H29N2.7CH3.2Hf.Zr/c1-24(2)28-16-9-10-18-33(28)37(39-36-29(25(3)4)19-12-20-30(36)26(5)6)35-23-13-22-34(38-35)32-21-11-15-27-14-7-8-17-31(27)32;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;1-12(2)15-10-9-11-16(13(3)4)17(15)20-18(6,7)14(5)19-8;;;;;;;;;;/h7-20,22-26,37H,1-6H3;2*12-15,19,24H,8-11H2,1-7H3;9-13H,1-8H3;7*1H3;;;/q-2;;;8*-1;2*+4;+2/b;2*23-14+;19-14+;;;;;;;;;;.

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-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));zirconium(2+)?

carbanide;bis(2,4-ditert-butyl-6-[(2-methylcyclohexyl)iminomethyl]phenol);[2,6-di(propan-2-yl)phenyl]-(2-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));zirconium(2+) has a molecular weight of 1996.67 g/mol, XLogP of 31.79, 17 rotatable bonds, 2 hydrogen bond donors, and 6 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-methyl-3-methyliminobutan-2-yl)azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2H-naphthalen-2-id-1-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]azanide;bis(hafnium(4+));zirconium(2+) is sourced from PubChem (CID 161002159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).