4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione

C26H18O4 — CID 3437445

IUPAC4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
SMILESCc1c(-c2ccccc2)c(=O)oc2cc3oc(=O)c(-c4ccccc4)c(C)c3cc12
InChIInChI=1S/C26H18O4/c1-15-19-13-20-16(2)24(18-11-7-4-8-12-18)26(28)30-22(20)14-21(19)29-25(27)23(15)17-9-5-3-6-10-17/h3-14H,1-2H3
InChIKeyRZOSHCSCCMQKIM-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.85
Rot. Bonds2

About 4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione

4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione (PubChem CID 3437445) has the molecular formula C26H18O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione.

Molecular Properties

Compound Name4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
PubChem CID3437445
Molecular FormulaC26H18O4
Molecular Weight394.43 g/mol
Exact Mass394.12
IUPAC Name4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
SMILESCc1c(-c2ccccc2)c(=O)oc2cc3oc(=O)c(-c4ccccc4)c(C)c3cc12
InChIInChI=1S/C26H18O4/c1-15-19-13-20-16(2)24(18-11-7-4-8-12-18)26(28)30-22(20)14-21(19)29-25(27)23(15)17-9-5-3-6-10-17/h3-14H,1-2H3
InChIKeyRZOSHCSCCMQKIM-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': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione?
The IUPAC name of 4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione (CID 3437445) is 4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione.
What is the SMILES notation for 4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione?
The canonical SMILES for 4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione is Cc1c(-c2ccccc2)c(=O)oc2cc3oc(=O)c(-c4ccccc4)c(C)c3cc12.
What is the InChIKey of 4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione?
The InChIKey is RZOSHCSCCMQKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O4/c1-15-19-13-20-16(2)24(18-11-7-4-8-12-18)26(28)30-22(20)14-21(19)29-25(27)23(15)17-9-5-3-6-10-17/h3-14H,1-2H3.
What are the key properties of 4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione?
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-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 4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione is sourced from PubChem (CID 3437445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).