(2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone

C32H36N2O2 — CID 5369807

IUPAC(2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone
SMILESCC1=CC(C)(C2(C)C=C(C)N(C)/C(=C/C(=O)c3ccccc3)C2)C/C(=C\C(=O)c2ccccc2)N1C
InChIInChI=1S/C32H36N2O2/c1-23-19-31(3,21-27(33(23)5)17-29(35)25-13-9-7-10-14-25)32(4)20-24(2)34(6)28(22-32)18-30(36)26-15-11-8-12-16-26/h7-20H,21-22H2,1-6H3/b27-17+,28-18+
InChIKeyCDGMMVOKVZMICB-XUIWWLCJSA-N
MW480.65 g/mol
LogP7.01
Rot. Bonds5

About (2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone

(2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone (PubChem CID 5369807) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is (2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone.

Molecular Properties

Compound Name(2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone
PubChem CID5369807
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC Name(2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone
SMILESCC1=CC(C)(C2(C)C=C(C)N(C)/C(=C/C(=O)c3ccccc3)C2)C/C(=C\C(=O)c2ccccc2)N1C
InChIInChI=1S/C32H36N2O2/c1-23-19-31(3,21-27(33(23)5)17-29(35)25-13-9-7-10-14-25)32(4)20-24(2)34(6)28(22-32)18-30(36)26-15-11-8-12-16-26/h7-20H,21-22H2,1-6H3/b27-17+,28-18+
InChIKeyCDGMMVOKVZMICB-XUIWWLCJSA-N
XLogP7.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone with MolForge

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Related Compounds

3-[(2E)-4,4-dimethyl-2-phenacylidenepyrrolidin-1-yl]propanoic acid
CID 10565216
2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone
CID 154269725
(2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone
CID 177476304
N-methylmethanamine;2-oxo-2-phenylacetaldehyde
CID 174528822
2-[(2E)-4,4-dimethyl-2-[2-oxo-2-(4-phenylphenyl)ethylidene]pyrrolidin-1-yl]propanoic acid
CID 10690088
(2Z)-2-(4-ethenyl-4-methyloxolan-2-ylidene)-1-phenylethanone
CID 132961454
2-(10-methylacridin-9-ylidene)-1-phenylethanone
CID 3797236
2-[(2E)-4,4-dimethyl-2-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidin-1-yl]acetic acid
CID 10493524
2-[4-[(2E)-2-(1,4,4-trimethylpyrrolidin-2-ylidene)acetyl]phenyl]acetic acid
CID 10613283
(2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone
CID 10932882
(5Z)-5-phenacylidenepyrrolidin-2-one
CID 131465370
1-phenyl-2-(3,3,5-trimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone
CID 69215318

Frequently Asked Questions

What is the IUPAC name of (2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone?
The IUPAC name of (2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone (CID 5369807) is (2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone.
What is the SMILES notation for (2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone?
The canonical SMILES for (2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone is CC1=CC(C)(C2(C)C=C(C)N(C)/C(=C/C(=O)c3ccccc3)C2)C/C(=C\C(=O)c2ccccc2)N1C.
What is the InChIKey of (2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone?
The InChIKey is CDGMMVOKVZMICB-XUIWWLCJSA-N. The full InChI is InChI=1S/C32H36N2O2/c1-23-19-31(3,21-27(33(23)5)17-29(35)25-13-9-7-10-14-25)32(4)20-24(2)34(6)28(22-32)18-30(36)26-15-11-8-12-16-26/h7-20H,21-22H2,1-6H3/b27-17+,28-18+.
What are the key properties of (2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone?
(2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone has a molecular weight of 480.65 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone is sourced from PubChem (CID 5369807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).