9-[bis(4-methylphenyl)methylidene]xanthene

C28H22O — CID 15914606

IUPAC9-[bis(4-methylphenyl)methylidene]xanthene
SMILESCc1ccc(C(=C2c3ccccc3Oc3ccccc32)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H22O/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)28-23-7-3-5-9-25(23)29-26-10-6-4-8-24(26)28/h3-18H,1-2H3
InChIKeyVFEKWWJXGHWURT-UHFFFAOYSA-N
MW374.48 g/mol
LogP7.42
Rot. Bonds2

About 9-[bis(4-methylphenyl)methylidene]xanthene

9-[bis(4-methylphenyl)methylidene]xanthene (PubChem CID 15914606) has the molecular formula C28H22O and a molecular weight of 374.48 g/mol. Its IUPAC name is 9-[bis(4-methylphenyl)methylidene]xanthene.

Molecular Properties

Compound Name9-[bis(4-methylphenyl)methylidene]xanthene
PubChem CID15914606
Molecular FormulaC28H22O
Molecular Weight374.48 g/mol
Exact Mass374.17
IUPAC Name9-[bis(4-methylphenyl)methylidene]xanthene
SMILESCc1ccc(C(=C2c3ccccc3Oc3ccccc32)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H22O/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)28-23-7-3-5-9-25(23)29-26-10-6-4-8-24(26)28/h3-18H,1-2H3
InChIKeyVFEKWWJXGHWURT-UHFFFAOYSA-N
XLogP7.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[bis(4-methylphenyl)methylidene]xanthene?
The IUPAC name of 9-[bis(4-methylphenyl)methylidene]xanthene (CID 15914606) is 9-[bis(4-methylphenyl)methylidene]xanthene.
What is the SMILES notation for 9-[bis(4-methylphenyl)methylidene]xanthene?
The canonical SMILES for 9-[bis(4-methylphenyl)methylidene]xanthene is Cc1ccc(C(=C2c3ccccc3Oc3ccccc32)c2ccc(C)cc2)cc1.
What is the InChIKey of 9-[bis(4-methylphenyl)methylidene]xanthene?
The InChIKey is VFEKWWJXGHWURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)28-23-7-3-5-9-25(23)29-26-10-6-4-8-24(26)28/h3-18H,1-2H3.
What are the key properties of 9-[bis(4-methylphenyl)methylidene]xanthene?
9-[bis(4-methylphenyl)methylidene]xanthene has a molecular weight of 374.48 g/mol, XLogP of 7.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[bis(4-methylphenyl)methylidene]xanthene is sourced from PubChem (CID 15914606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).