(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'}

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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).