3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione

C26H18O4 — CID 15320936

IUPAC3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione
SMILESCc1ccc(-c2coc3cc4occ(-c5ccc(C)cc5)c(=O)c4cc3c2=O)cc1
InChIInChI=1S/C26H18O4/c1-15-3-7-17(8-4-15)21-13-29-23-12-24-20(11-19(23)25(21)27)26(28)22(14-30-24)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyAEZFPKZWMYYQEG-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.85
Rot. Bonds2

About 3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione

3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione (PubChem CID 15320936) has the molecular formula C26H18O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione.

Molecular Properties

Compound Name3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione
PubChem CID15320936
Molecular FormulaC26H18O4
Molecular Weight394.43 g/mol
Exact Mass394.12
IUPAC Name3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione
SMILESCc1ccc(-c2coc3cc4occ(-c5ccc(C)cc5)c(=O)c4cc3c2=O)cc1
InChIInChI=1S/C26H18O4/c1-15-3-7-17(8-4-15)21-13-29-23-12-24-20(11-19(23)25(21)27)26(28)22(14-30-24)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyAEZFPKZWMYYQEG-UHFFFAOYSA-N
XLogP5.85
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-6,7-dimethylchromen-4-one
CID 119106347
6-ethyl-7-methoxy-3-(4-methylphenyl)chromen-4-one
CID 58480721
7-methoxy-3-(4-methoxyphenyl)-6-methylchromen-4-one
CID 57363360
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176
3-(4-bromophenyl)-7-[(4-methylphenyl)methoxy]chromen-4-one
CID 2013461
7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one
CID 58402386
5-methyl-3-(4-methylphenyl)-6-(2-methylpropyl)furo[3,2-g]chromen-7-one
CID 5182860
3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237
6-chloro-3-(4-fluoro-3-methylphenyl)chromen-4-one
CID 24720654
3-(4-methylphenyl)-1-benzofuran
CID 11160085
6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one
CID 42604870

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione?
The IUPAC name of 3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione (CID 15320936) is 3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione.
What is the SMILES notation for 3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione?
The canonical SMILES for 3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione is Cc1ccc(-c2coc3cc4occ(-c5ccc(C)cc5)c(=O)c4cc3c2=O)cc1.
What is the InChIKey of 3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione?
The InChIKey is AEZFPKZWMYYQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O4/c1-15-3-7-17(8-4-15)21-13-29-23-12-24-20(11-19(23)25(21)27)26(28)22(14-30-24)18-9-5-16(2)6-10-18/h3-14H,1-2H3.
What are the key properties of 3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione?
3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione has a molecular weight of 394.43 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione is sourced from PubChem (CID 15320936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).