1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene

C30H26O — CID 177127970

IUPAC1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2cccc(-c3cccc4c3C(C)(C)c3ccccc3-4)c21
InChIInChI=1S/C30H26O/c1-29(2)23-15-6-5-11-19(23)20-12-9-13-21(27(20)29)22-14-10-18-26-28(22)30(3,4)24-16-7-8-17-25(24)31-26/h5-18H,1-4H3
InChIKeyGRBSVMUXOGZPDP-UHFFFAOYSA-N
MW402.54 g/mol
LogP8.09
Rot. Bonds1

About 1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene

1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene (PubChem CID 177127970) has the molecular formula C30H26O and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
PubChem CID177127970
Molecular FormulaC30H26O
Molecular Weight402.54 g/mol
Exact Mass402.20
IUPAC Name1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2cccc(-c3cccc4c3C(C)(C)c3ccccc3-4)c21
InChIInChI=1S/C30H26O/c1-29(2)23-15-6-5-11-19(23)20-12-9-13-21(27(20)29)22-14-10-18-26-28(22)30(3,4)24-16-7-8-17-25(24)31-26/h5-18H,1-4H3
InChIKeyGRBSVMUXOGZPDP-UHFFFAOYSA-N
XLogP8.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 170019541
1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9-dimethylxanthen-1-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333803
1-[8-(9,9-dimethylxanthen-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333834
1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018138
1-[8-(9,9-dimethylxanthen-1-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333366
2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163752152
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333315
9,9-dimethylxanthene-1,2-diol
CID 150510320
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 147101765
2-(9,9-dimethylxanthen-1-yl)-1,10-phenanthroline
CID 166908205
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene?
The IUPAC name of 1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene (CID 177127970) is 1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene.
What is the SMILES notation for 1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene?
The canonical SMILES for 1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene is CC1(C)c2ccccc2Oc2cccc(-c3cccc4c3C(C)(C)c3ccccc3-4)c21.
What is the InChIKey of 1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene?
The InChIKey is GRBSVMUXOGZPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O/c1-29(2)23-15-6-5-11-19(23)20-12-9-13-21(27(20)29)22-14-10-18-26-28(22)30(3,4)24-16-7-8-17-25(24)31-26/h5-18H,1-4H3.
What are the key properties of 1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene?
1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene has a molecular weight of 402.54 g/mol, XLogP of 8.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene is sourced from PubChem (CID 177127970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).