(Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol

C28H26N2O2 — CID 135477989

IUPAC(Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol
SMILESCc1ccc(/C(O)=C/c2nc3ccccc3nc2/C=C(\O)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C28H26N2O2/c1-17-9-11-21(19(3)13-17)27(31)15-25-26(30-24-8-6-5-7-23(24)29-25)16-28(32)22-12-10-18(2)14-20(22)4/h5-16,31-32H,1-4H3/b27-15-,28-16-
InChIKeyLZAHGBVIURBLMI-USYBVIFISA-N
MW422.53 g/mol
LogP6.98
Rot. Bonds4

About (Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol

(Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol (PubChem CID 135477989) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol.

Molecular Properties

Compound Name(Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol
PubChem CID135477989
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name(Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol
SMILESCc1ccc(/C(O)=C/c2nc3ccccc3nc2/C=C(\O)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C28H26N2O2/c1-17-9-11-21(19(3)13-17)27(31)15-25-26(30-24-8-6-5-7-23(24)29-25)16-28(32)22-12-10-18(2)14-20(22)4/h5-16,31-32H,1-4H3/b27-15-,28-16-
InChIKeyLZAHGBVIURBLMI-USYBVIFISA-N
XLogP6.98
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_66_C(2)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol
CID 507219
(Z)-2-[3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-yl]-1-phenylethenol
CID 135452041
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one
CID 135637753
3-(2-hydroxy-2-phenylethenyl)-6-methyl-1,4-benzoxazin-2-one
CID 705110
(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 92908631
(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol
CID 146991450
(Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide
CID 5293450
(Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid
CID 83955455
(2,4-dimethylphenyl)-quinolin-4-ylmethanone
CID 86811186
quinoxalino[2,3-b]quinoxaline;bis((2,4,6-trimethylphenyl)boronic acid)
CID 139125208
3-methylquinoline-2-carbaldehyde
CID 22832126

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol?
The IUPAC name of (Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol (CID 135477989) is (Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol.
What is the SMILES notation for (Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol?
The canonical SMILES for (Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol is Cc1ccc(/C(O)=C/c2nc3ccccc3nc2/C=C(\O)c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of (Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol?
The InChIKey is LZAHGBVIURBLMI-USYBVIFISA-N. The full InChI is InChI=1S/C28H26N2O2/c1-17-9-11-21(19(3)13-17)27(31)15-25-26(30-24-8-6-5-7-23(24)29-25)16-28(32)22-12-10-18(2)14-20(22)4/h5-16,31-32H,1-4H3/b27-15-,28-16-.
What are the key properties of (Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol?
(Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol has a molecular weight of 422.53 g/mol, XLogP of 6.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol is sourced from PubChem (CID 135477989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).