9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene

C44H30O — CID 170019541

IUPAC9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
SMILESCC1(C)c2ccccc2Oc2cccc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)c21
InChIInChI=1S/C44H30O/c1-43(2)37-22-9-10-23-38(37)45-39-24-12-19-33(42(39)43)32-18-11-17-31-29-15-5-7-20-35(29)44(41(31)32)36-21-8-6-16-30(36)34-26-25-27-13-3-4-14-28(27)40(34)44/h3-26H,1-2H3
InChIKeyKZEBCODONAXLIL-UHFFFAOYSA-N
MW574.72 g/mol
LogP11.28
Rot. Bonds1

About 9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene

9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene (PubChem CID 170019541) has the molecular formula C44H30O and a molecular weight of 574.72 g/mol. Its IUPAC name is 9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene.

Molecular Properties

Compound Name9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
PubChem CID170019541
Molecular FormulaC44H30O
Molecular Weight574.72 g/mol
Exact Mass574.23
IUPAC Name9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
SMILESCC1(C)c2ccccc2Oc2cccc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)c21
InChIInChI=1S/C44H30O/c1-43(2)37-22-9-10-23-38(37)45-39-24-12-19-33(42(39)43)32-18-11-17-31-29-15-5-7-20-35(29)44(41(31)32)36-21-8-6-16-30(36)34-26-25-27-13-3-4-14-28(27)40(34)44/h3-26H,1-2H3
InChIKeyKZEBCODONAXLIL-UHFFFAOYSA-N
XLogP11.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.72
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 177127137
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333385
1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 147101765
1-[8-(9,9-dimethylxanthen-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333834
3-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 177127719
1-[8-(9,9-dimethylxanthen-1-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333366
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
2'-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037298
4-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170015453
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 170029352

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene?
The IUPAC name of 9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene (CID 170019541) is 9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene.
What is the SMILES notation for 9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene?
The canonical SMILES for 9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene is CC1(C)c2ccccc2Oc2cccc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)c21.
What is the InChIKey of 9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene?
The InChIKey is KZEBCODONAXLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O/c1-43(2)37-22-9-10-23-38(37)45-39-24-12-19-33(42(39)43)32-18-11-17-31-29-15-5-7-20-35(29)44(41(31)32)36-21-8-6-16-30(36)34-26-25-27-13-3-4-14-28(27)40(34)44/h3-26H,1-2H3.
What are the key properties of 9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene?
9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene has a molecular weight of 574.72 g/mol, XLogP of 11.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene is sourced from PubChem (CID 170019541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).