N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide

C50H60N6O2 — CID 135602626

IUPACN'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide
SMILESCC(C)(C)c1cc(/C(=N/N=C/c2ccc(/C=N/N=C(\Nc3ccccc3)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)Nc2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C50H60N6O2/c1-47(2,3)39-27-35(28-40(43(39)57)48(4,5)6)45(53-37-19-15-13-16-20-37)55-51-31-33-23-25-34(26-24-33)32-52-56-46(54-38-21-17-14-18-22-38)36-29-41(49(7,8)9)44(58)42(30-36)50(10,11)12/h13-32,57-58H,1-12H3,(H,53,55)(H,54,56)/b51-31+,52-32+
InChIKeyVLVYWVPHNJPFDF-XUBDYVCFSA-N
MW777.07 g/mol
LogP12.07
Rot. Bonds8

About N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide

N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide (PubChem CID 135602626) has the molecular formula C50H60N6O2 and a molecular weight of 777.07 g/mol. Its IUPAC name is N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide
PubChem CID135602626
Molecular FormulaC50H60N6O2
Molecular Weight777.07 g/mol
Exact Mass776.48
IUPAC NameN'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide
SMILESCC(C)(C)c1cc(/C(=N/N=C/c2ccc(/C=N/N=C(\Nc3ccccc3)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)Nc2ccccc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C50H60N6O2/c1-47(2,3)39-27-35(28-40(43(39)57)48(4,5)6)45(53-37-19-15-13-16-20-37)55-51-31-33-23-25-34(26-24-33)32-52-56-46(54-38-21-17-14-18-22-38)36-29-41(49(7,8)9)44(58)42(30-36)50(10,11)12/h13-32,57-58H,1-12H3,(H,53,55)(H,54,56)/b51-31+,52-32+
InChIKeyVLVYWVPHNJPFDF-XUBDYVCFSA-N
XLogP12.07
TPSA113.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.07
LogP ≤ 512.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide with MolForge

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Related Compounds

4-(4-anilinoanilino)-2,6-ditert-butylphenol
CID 14649918
3,5-ditert-butyl-4-hydroxy-N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]benzamide
CID 54076657
3-anilino-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide
CID 3506052
2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135909999
1-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-3-phenylurea
CID 136690347
4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-oxoprop-1-enyl]-N-(4-hydroxyphenyl)benzamide
CID 54539199
4-[(E)-N-anilino-C-phenylcarbonimidoyl]-2,6-ditert-butylphenol
CID 135598899
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3,5-ditert-butyl-4-hydroxy-N'-phenylbenzenecarboximidamide
CID 135602509
2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol
CID 169383629
3,5-ditert-butyl-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 135437571
1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
CID 148941526
1-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
CID 89220059

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide?
The IUPAC name of N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide (CID 135602626) is N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide?
The canonical SMILES for N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide is CC(C)(C)c1cc(/C(=N/N=C/c2ccc(/C=N/N=C(\Nc3ccccc3)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)Nc2ccccc2)cc(C(C)(C)C)c1O.
What is the InChIKey of N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide?
The InChIKey is VLVYWVPHNJPFDF-XUBDYVCFSA-N. The full InChI is InChI=1S/C50H60N6O2/c1-47(2,3)39-27-35(28-40(43(39)57)48(4,5)6)45(53-37-19-15-13-16-20-37)55-51-31-33-23-25-34(26-24-33)32-52-56-46(54-38-21-17-14-18-22-38)36-29-41(49(7,8)9)44(58)42(30-36)50(10,11)12/h13-32,57-58H,1-12H3,(H,53,55)(H,54,56)/b51-31+,52-32+.
What are the key properties of N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide?
N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide has a molecular weight of 777.07 g/mol, XLogP of 12.07, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[4-[(E)-[(Z)-[anilino-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-ditert-butyl-4-hydroxy-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 135602626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).