(4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one

C24H18O2 — CID 20759610

IUPAC(4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
SMILESCC1=C/C(=C/C=C2\C=C(C)C(=O)c3ccccc32)c2ccccc2C1=O
InChIInChI=1S/C24H18O2/c1-15-13-17(19-7-3-5-9-21(19)23(15)25)11-12-18-14-16(2)24(26)22-10-6-4-8-20(18)22/h3-14H,1-2H3/b17-11-,18-12+
InChIKeyRPMQEGFGKDSLGO-MJZABRMRSA-N
MW338.41 g/mol
LogP5.44
Rot. Bonds1

About (4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one

(4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one (PubChem CID 20759610) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one.

Molecular Properties

Compound Name(4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
PubChem CID20759610
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name(4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
SMILESCC1=C/C(=C/C=C2\C=C(C)C(=O)c3ccccc32)c2ccccc2C1=O
InChIInChI=1S/C24H18O2/c1-15-13-17(19-7-3-5-9-21(19)23(15)25)11-12-18-14-16(2)24(26)22-10-6-4-8-20(18)22/h3-14H,1-2H3/b17-11-,18-12+
InChIKeyRPMQEGFGKDSLGO-MJZABRMRSA-N
XLogP5.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-2-tert-butyl-4-[(2E)-2-(3-tert-butyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
CID 58648706
2-methylnaphthalene-1,4-dione
CID 102070817
ethanol;2-methylnaphthalene-1,4-dione
CID 175255751
phenanthrene-9,10-dione
CID 6763
CID 118898551
CID 118898551
ethane;bis(fluoren-9-one);methanol
CID 162250310
anthracene-9,10-dione;methylsulfinylmethane
CID 158383413
sodium;fluoren-9-one;hydride
CID 174594472
(4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
CID 59985695
2-methylnaphthalene-1,4-dione;sulfuryl diazide
CID 87908107
CID 66807709
CID 66807709
CID 67824005
CID 67824005

Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one?
The IUPAC name of (4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one (CID 20759610) is (4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one.
What is the SMILES notation for (4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one?
The canonical SMILES for (4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one is CC1=C/C(=C/C=C2\C=C(C)C(=O)c3ccccc32)c2ccccc2C1=O.
What is the InChIKey of (4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one?
The InChIKey is RPMQEGFGKDSLGO-MJZABRMRSA-N. The full InChI is InChI=1S/C24H18O2/c1-15-13-17(19-7-3-5-9-21(19)23(15)25)11-12-18-14-16(2)24(26)22-10-6-4-8-20(18)22/h3-14H,1-2H3/b17-11-,18-12+.
What are the key properties of (4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one?
(4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one has a molecular weight of 338.41 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one is sourced from PubChem (CID 20759610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).