2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene

C30H26O2 — CID 70935955

IUPAC2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3O4)cc21
InChIInChI=1S/C30H26O2/c1-29(2)21-9-5-7-11-25(21)31-27-15-13-19(17-23(27)29)20-14-16-28-24(18-20)30(3,4)22-10-6-8-12-26(22)32-28/h5-18H,1-4H3
InChIKeyAHYPPAGDMGKDLR-UHFFFAOYSA-N
MW418.54 g/mol
LogP8.22
Rot. Bonds1

About 2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene

2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene (PubChem CID 70935955) has the molecular formula C30H26O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene.

Molecular Properties

Compound Name2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
PubChem CID70935955
Molecular FormulaC30H26O2
Molecular Weight418.54 g/mol
Exact Mass418.19
IUPAC Name2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3O4)cc21
InChIInChI=1S/C30H26O2/c1-29(2)21-9-5-7-11-25(21)31-27-15-13-19(17-23(27)29)20-14-16-28-24(18-20)30(3,4)22-10-6-8-12-26(22)32-28/h5-18H,1-4H3
InChIKeyAHYPPAGDMGKDLR-UHFFFAOYSA-N
XLogP8.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene?
The IUPAC name of 2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene (CID 70935955) is 2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene.
What is the SMILES notation for 2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene?
The canonical SMILES for 2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene is CC1(C)c2ccccc2Oc2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3O4)cc21.
What is the InChIKey of 2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene?
The InChIKey is AHYPPAGDMGKDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O2/c1-29(2)21-9-5-7-11-25(21)31-27-15-13-19(17-23(27)29)20-14-16-28-24(18-20)30(3,4)22-10-6-8-12-26(22)32-28/h5-18H,1-4H3.
What are the key properties of 2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene?
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene has a molecular weight of 418.54 g/mol, XLogP of 8.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene is sourced from PubChem (CID 70935955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).