5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one

C30H24O4 — CID 162997582

IUPAC5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one
SMILESCC1(C)C=CC2=C(O1)C(=O)c1ccccc1C2=C1C2=C(C=CC(C)(C)O2)C(=O)c2ccccc21
InChIInChI=1S/C30H24O4/c1-29(2)16-14-22-25(31)19-11-7-6-10-18(19)24(27(22)33-29)23-17-9-5-8-12-20(17)26(32)28-21(23)13-15-30(3,4)34-28/h5-16H,1-4H3
InChIKeyFLRGQEAYSIMFHC-UHFFFAOYSA-N
MW448.52 g/mol
LogP6.23
Rot. Bonds

About 5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one

5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one (PubChem CID 162997582) has the molecular formula C30H24O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one.

Molecular Properties

Compound Name5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one
PubChem CID162997582
Molecular FormulaC30H24O4
Molecular Weight448.52 g/mol
Exact Mass448.17
IUPAC Name5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one
SMILESCC1(C)C=CC2=C(O1)C(=O)c1ccccc1C2=C1C2=C(C=CC(C)(C)O2)C(=O)c2ccccc21
InChIInChI=1S/C30H24O4/c1-29(2)16-14-22-25(31)19-11-7-6-10-18(19)24(27(22)33-29)23-17-9-5-8-12-20(17)26(32)28-21(23)13-15-30(3,4)34-28/h5-16H,1-4H3
InChIKeyFLRGQEAYSIMFHC-UHFFFAOYSA-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': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one?
The IUPAC name of 5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one (CID 162997582) is 5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one.
What is the SMILES notation for 5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one?
The canonical SMILES for 5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one is CC1(C)C=CC2=C(O1)C(=O)c1ccccc1C2=C1C2=C(C=CC(C)(C)O2)C(=O)c2ccccc21.
What is the InChIKey of 5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one?
The InChIKey is FLRGQEAYSIMFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O4/c1-29(2)16-14-22-25(31)19-11-7-6-10-18(19)24(27(22)33-29)23-17-9-5-8-12-20(17)26(32)28-21(23)13-15-30(3,4)34-28/h5-16H,1-4H3.
What are the key properties of 5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one?
5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-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 5-(2,2-dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one is sourced from PubChem (CID 162997582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).