bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium

C35H41HfN2O2- — CID 139242538

IUPACbis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
SMILESCC(C)(C)c1cccc(/C=N/c2ccccc2)c1O.CC(C)(C)c1cccc(/C=N/c2ccccc2)c1O.[CH3-].[Hf]
InChIInChI=1S/2C17H19NO.CH3.Hf/c2*1-17(2,3)15-11-7-8-13(16(15)19)12-18-14-9-5-4-6-10-14;;/h2*4-12,19H,1-3H3;1H3;/q;;-1;/b2*18-12+;;
InChIKeyCOUDNMAUWOXQOS-QQWFLLBHSA-N
MW700.22 g/mol
LogP9.33
Rot. Bonds4

About bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium

bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium (PubChem CID 139242538) has the molecular formula C35H41HfN2O2- and a molecular weight of 700.22 g/mol. Its IUPAC name is bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium.

Molecular Properties

Compound Namebis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
PubChem CID139242538
Molecular FormulaC35H41HfN2O2-
Molecular Weight700.22 g/mol
Exact Mass701.26
IUPAC Namebis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
SMILESCC(C)(C)c1cccc(/C=N/c2ccccc2)c1O.CC(C)(C)c1cccc(/C=N/c2ccccc2)c1O.[CH3-].[Hf]
InChIInChI=1S/2C17H19NO.CH3.Hf/c2*1-17(2,3)15-11-7-8-13(16(15)19)12-18-14-9-5-4-6-10-14;;/h2*4-12,19H,1-3H3;1H3;/q;;-1;/b2*18-12+;;
InChIKeyCOUDNMAUWOXQOS-QQWFLLBHSA-N
XLogP9.33
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.22
LogP ≤ 59.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-(phenyliminomethyl)phenol;oxolane;trichlorotitanium
CID 5242456
2-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-(4-methylphenyl)methyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 136635876
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
CID 135967283
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol
CID 136835974
2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium
CID 175087881
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-1-methylpyridin-1-ium-4-yl]iminomethyl]phenol
CID 139043422
2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
CID 135414322
2-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium
CID 137156914
carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
CID 135967304
2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol;oxomanganese
CID 139264727
2-tert-butyl-6-[(2-propan-2-ylphenyl)iminomethyl]phenol;titanium(2+);dichloride
CID 175088591

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium?
The IUPAC name of bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium (CID 139242538) is bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium.
What is the SMILES notation for bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium?
The canonical SMILES for bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium is CC(C)(C)c1cccc(/C=N/c2ccccc2)c1O.CC(C)(C)c1cccc(/C=N/c2ccccc2)c1O.[CH3-].[Hf].
What is the InChIKey of bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium?
The InChIKey is COUDNMAUWOXQOS-QQWFLLBHSA-N. The full InChI is InChI=1S/2C17H19NO.CH3.Hf/c2*1-17(2,3)15-11-7-8-13(16(15)19)12-18-14-9-5-4-6-10-14;;/h2*4-12,19H,1-3H3;1H3;/q;;-1;/b2*18-12+;;.
What are the key properties of bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium?
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium has a molecular weight of 700.22 g/mol, XLogP of 9.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium is sourced from PubChem (CID 139242538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).