9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene

C30H24O2 — CID 71384029

IUPAC9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene
SMILESCc1cc(C)c2c(c1)C(=C1c3ccccc3Oc3c(C)cc(C)cc31)c1ccccc1O2
InChIInChI=1S/C30H24O2/c1-17-13-19(3)29-23(15-17)27(21-9-5-7-11-25(21)31-29)28-22-10-6-8-12-26(22)32-30-20(4)14-18(2)16-24(28)30/h5-16H,1-4H3
InChIKeySSEVTBRPYQOOMA-UHFFFAOYSA-N
MW416.52 g/mol
LogP8.14
Rot. Bonds

About 9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene

9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene (PubChem CID 71384029) has the molecular formula C30H24O2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene.

Molecular Properties

Compound Name9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene
PubChem CID71384029
Molecular FormulaC30H24O2
Molecular Weight416.52 g/mol
Exact Mass416.18
IUPAC Name9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene
SMILESCc1cc(C)c2c(c1)C(=C1c3ccccc3Oc3c(C)cc(C)cc31)c1ccccc1O2
InChIInChI=1S/C30H24O2/c1-17-13-19(3)29-23(15-17)27(21-9-5-7-11-25(21)31-29)28-22-10-6-8-12-26(22)32-30-20(4)14-18(2)16-24(28)30/h5-16H,1-4H3
InChIKeySSEVTBRPYQOOMA-UHFFFAOYSA-N
XLogP8.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene?
The IUPAC name of 9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene (CID 71384029) is 9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene.
What is the SMILES notation for 9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene?
The canonical SMILES for 9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene is Cc1cc(C)c2c(c1)C(=C1c3ccccc3Oc3c(C)cc(C)cc31)c1ccccc1O2.
What is the InChIKey of 9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene?
The InChIKey is SSEVTBRPYQOOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O2/c1-17-13-19(3)29-23(15-17)27(21-9-5-7-11-25(21)31-29)28-22-10-6-8-12-26(22)32-30-20(4)14-18(2)16-24(28)30/h5-16H,1-4H3.
What are the key properties of 9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene?
9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene has a molecular weight of 416.52 g/mol, XLogP of 8.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene is sourced from PubChem (CID 71384029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).