(5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one

C30H24O4 — CID 3037329

IUPAC(5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one
SMILESCC1(C)C=CC2=C(O1)c1ccccc1C(=O)/C2=C1/C(=O)c2ccccc2C2=C1C=CC(C)(C)O2
InChIInChI=1S/C30H24O4/c1-29(2)15-13-21-23(25(31)17-9-5-7-11-19(17)27(21)33-29)24-22-14-16-30(3,4)34-28(22)20-12-8-6-10-18(20)26(24)32/h5-16H,1-4H3/b24-23+
InChIKeyWEZUNBBCEAASKT-WCWDXBQESA-N
MW448.52 g/mol
LogP6.23
Rot. Bonds

About (5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one

(5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one (PubChem CID 3037329) has the molecular formula C30H24O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is (5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one.

Molecular Properties

Compound Name(5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one
PubChem CID3037329
Molecular FormulaC30H24O4
Molecular Weight448.52 g/mol
Exact Mass448.17
IUPAC Name(5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one
SMILESCC1(C)C=CC2=C(O1)c1ccccc1C(=O)/C2=C1/C(=O)c2ccccc2C2=C1C=CC(C)(C)O2
InChIInChI=1S/C30H24O4/c1-29(2)15-13-21-23(25(31)17-9-5-7-11-19(17)27(21)33-29)24-22-14-16-30(3,4)34-28(22)20-12-8-6-10-18(20)26(24)32/h5-16H,1-4H3/b24-23+
InChIKeyWEZUNBBCEAASKT-WCWDXBQESA-N
XLogP6.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one with MolForge

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Related Compounds

7-methoxy-2,2-dimethylbenzo[h]chromene-5,6-dione
CID 71397601
8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione
CID 24824608
8,9-bis(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-3,3-dimethylbenzo[f]chromene-7,10-dione
CID 135908162
2-hydroxy-2-methyl-1H-anthracene-9,10-dione
CID 175034303
2,2,5,6-tetramethylbenzo[h]chromene
CID 21339666
3,3,5-trimethyl-6aH-pyrano[3,2-a]carbazole
CID 24871104
2-(4-methylphenyl)-3-[3-(4-methylphenyl)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione
CID 141466102
2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one
CID 89284189
2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one
CID 162658070
3,4-dibromo-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
CID 129075240
2-cyclopenta-2,4-dien-1-ylideneindene-1,3-dione
CID 126552144
9-hydroxy-8-[3-[(3R)-9-hydroxy-3-methyl-3-(4-methylpent-3-enyl)-7,10-dioxobenzo[f]chromen-8-yl]-1,4-dioxonaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione
CID 136862759

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one?
The IUPAC name of (5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one (CID 3037329) is (5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one.
What is the SMILES notation for (5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one?
The canonical SMILES for (5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one is CC1(C)C=CC2=C(O1)c1ccccc1C(=O)/C2=C1/C(=O)c2ccccc2C2=C1C=CC(C)(C)O2.
What is the InChIKey of (5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one?
The InChIKey is WEZUNBBCEAASKT-WCWDXBQESA-N. The full InChI is InChI=1S/C30H24O4/c1-29(2)15-13-21-23(25(31)17-9-5-7-11-19(17)27(21)33-29)24-22-14-16-30(3,4)34-28(22)20-12-8-6-10-18(20)26(24)32/h5-16H,1-4H3/b24-23+.
What are the key properties of (5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one?
(5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one has a molecular weight of 448.52 g/mol, XLogP of 6.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(2,2-dimethyl-6-oxobenzo[h]chromen-5-ylidene)-2,2-dimethylbenzo[h]chromen-6-one is sourced from PubChem (CID 3037329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).