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

C24H18O2 — CID 59985695

IUPAC(4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
SMILESCC1=CC(=O)c2ccccc2/C1=C\C=C1\C(C)=CC(=O)c2ccccc21
InChIInChI=1S/C24H18O2/c1-15-13-23(25)21-9-5-3-7-19(21)17(15)11-12-18-16(2)14-24(26)22-10-6-4-8-20(18)22/h3-14H,1-2H3/b17-11-,18-12-
InChIKeyAEPFLOCVBFLVTB-WHYMJUELSA-N
MW338.41 g/mol
LogP5.44
Rot. Bonds1

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

(4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one (PubChem CID 59985695) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one.

Molecular Properties

Compound Name(4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
PubChem CID59985695
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name(4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
SMILESCC1=CC(=O)c2ccccc2/C1=C\C=C1\C(C)=CC(=O)c2ccccc21
InChIInChI=1S/C24H18O2/c1-15-13-23(25)21-9-5-3-7-19(21)17(15)11-12-18-16(2)14-24(26)22-10-6-4-8-20(18)22/h3-14H,1-2H3/b17-11-,18-12-
InChIKeyAEPFLOCVBFLVTB-WHYMJUELSA-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

2-methylnaphthalene-1,4-dione
CID 102070817
ethanol;2-methylnaphthalene-1,4-dione
CID 175255751
(4E)-2-methyl-4-[(2Z)-2-(3-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one
CID 20759610
2-methylnaphthalene-1,4-dione;sulfuryl diazide
CID 87908107
ethane;naphthalene-1,4-dione
CID 54088717
2-methylnaphthalene-1,4-dione;methyl propanoate
CID 68918389
2-[(E)-prop-1-enyl]naphthalene-1,4-dione
CID 139241161
gold;naphthalene-1,4-dione
CID 159229238
sodium naphthalene-1,4-dione
CID 18935707
hydron;naphthalene-1,4-dione
CID 174880921
2-chloronaphthalene-1,4-dione
CID 12503870
(1,4-dioxonaphthalen-2-yl) formate
CID 175556159

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one?
The IUPAC name of (4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one (CID 59985695) is (4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one.
What is the SMILES notation for (4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one?
The canonical SMILES for (4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one is CC1=CC(=O)c2ccccc2/C1=C\C=C1\C(C)=CC(=O)c2ccccc21.
What is the InChIKey of (4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one?
The InChIKey is AEPFLOCVBFLVTB-WHYMJUELSA-N. The full InChI is InChI=1S/C24H18O2/c1-15-13-23(25)21-9-5-3-7-19(21)17(15)11-12-18-16(2)14-24(26)22-10-6-4-8-20(18)22/h3-14H,1-2H3/b17-11-,18-12-.
What are the key properties of (4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one?
(4Z)-3-methyl-4-[(2Z)-2-(2-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 (4Z)-3-methyl-4-[(2Z)-2-(2-methyl-4-oxonaphthalen-1-ylidene)ethylidene]naphthalen-1-one is sourced from PubChem (CID 59985695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).