9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene

C44H30O — CID 177127137

IUPAC9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
SMILESCC1(C)c2ccccc2Oc2ccc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)cc21
InChIInChI=1S/C44H30O/c1-43(2)37-20-9-10-21-39(37)45-40-25-23-28(26-38(40)43)30-16-11-17-33-31-14-5-7-18-35(31)44(42(30)33)36-19-8-6-15-32(36)34-24-22-27-12-3-4-13-29(27)41(34)44/h3-26H,1-2H3
InChIKeyKRHNKAZYHHEWMG-UHFFFAOYSA-N
MW574.72 g/mol
LogP11.28
Rot. Bonds1

About 9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene

9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene (PubChem CID 177127137) has the molecular formula C44H30O and a molecular weight of 574.72 g/mol. Its IUPAC name is 9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene.

Molecular Properties

Compound Name9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
PubChem CID177127137
Molecular FormulaC44H30O
Molecular Weight574.72 g/mol
Exact Mass574.23
IUPAC Name9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
SMILESCC1(C)c2ccccc2Oc2ccc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)cc21
InChIInChI=1S/C44H30O/c1-43(2)37-20-9-10-21-39(37)45-40-25-23-28(26-38(40)43)30-16-11-17-33-31-14-5-7-18-35(31)44(42(30)33)36-19-8-6-15-32(36)34-24-22-27-12-3-4-13-29(27)41(34)44/h3-26H,1-2H3
InChIKeyKRHNKAZYHHEWMG-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

Analyze 9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 170019541
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
N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365703
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
12-spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126719
2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
CID 170021111
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin
CID 134166054
2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 170031817
2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
CID 177127900

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene?
The IUPAC name of 9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene (CID 177127137) is 9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene.
What is the SMILES notation for 9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene?
The canonical SMILES for 9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene is CC1(C)c2ccccc2Oc2ccc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)cc21.
What is the InChIKey of 9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene?
The InChIKey is KRHNKAZYHHEWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O/c1-43(2)37-20-9-10-21-39(37)45-40-25-23-28(26-38(40)43)30-16-11-17-33-31-14-5-7-18-35(31)44(42(30)33)36-19-8-6-15-32(36)34-24-22-27-12-3-4-13-29(27)41(34)44/h3-26H,1-2H3.
What are the key properties of 9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene?
9,9-dimethyl-2-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-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene is sourced from PubChem (CID 177127137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).