5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol

C32H44N4O — CID 153382667

IUPAC5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol
SMILESC=CN1C=CC(c2ccc(/C(C)=C/C(/N=N/C)=C(\C)CC3CC(C)(C)NC(C)(C)C3)c(O)c2)=C/C1=C/C
InChIInChI=1S/C32H44N4O/c1-10-27-18-26(14-15-36(27)11-2)25-12-13-28(30(37)19-25)22(3)17-29(34-33-9)23(4)16-24-20-31(5,6)35-32(7,8)21-24/h10-15,17-19,24,35,37H,2,16,20-21H2,1,3-9H3/b22-17+,27-10-,29-23-,34-33+
InChIKeyKEVYFAXUHQRWRX-YPQOATMWSA-N
MW500.73 g/mol
LogP8.36
Rot. Bonds7

About 5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol

5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol (PubChem CID 153382667) has the molecular formula C32H44N4O and a molecular weight of 500.73 g/mol. Its IUPAC name is 5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol.

Molecular Properties

Compound Name5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol
PubChem CID153382667
Molecular FormulaC32H44N4O
Molecular Weight500.73 g/mol
Exact Mass500.35
IUPAC Name5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol
SMILESC=CN1C=CC(c2ccc(/C(C)=C/C(/N=N/C)=C(\C)CC3CC(C)(C)NC(C)(C)C3)c(O)c2)=C/C1=C/C
InChIInChI=1S/C32H44N4O/c1-10-27-18-26(14-15-36(27)11-2)25-12-13-28(30(37)19-25)22(3)17-29(34-33-9)23(4)16-24-20-31(5,6)35-32(7,8)21-24/h10-15,17-19,24,35,37H,2,16,20-21H2,1,3-9H3/b22-17+,27-10-,29-23-,34-33+
InChIKeyKEVYFAXUHQRWRX-YPQOATMWSA-N
XLogP8.36
TPSA60.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.73
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol?
The IUPAC name of 5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol (CID 153382667) is 5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol.
What is the SMILES notation for 5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol?
The canonical SMILES for 5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol is C=CN1C=CC(c2ccc(/C(C)=C/C(/N=N/C)=C(\C)CC3CC(C)(C)NC(C)(C)C3)c(O)c2)=C/C1=C/C.
What is the InChIKey of 5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol?
The InChIKey is KEVYFAXUHQRWRX-YPQOATMWSA-N. The full InChI is InChI=1S/C32H44N4O/c1-10-27-18-26(14-15-36(27)11-2)25-12-13-28(30(37)19-25)22(3)17-29(34-33-9)23(4)16-24-20-31(5,6)35-32(7,8)21-24/h10-15,17-19,24,35,37H,2,16,20-21H2,1,3-9H3/b22-17+,27-10-,29-23-,34-33+.
What are the key properties of 5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol?
5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol has a molecular weight of 500.73 g/mol, XLogP of 8.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-1-ethenyl-2-ethylidene-4-pyridinyl]-2-[(2E,4Z)-5-methyl-4-(methyldiazenyl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)hexa-2,4-dien-2-yl]phenol is sourced from PubChem (CID 153382667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).