1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]

C40H28O — CID 170018138

IUPAC1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C40H28O/c1-39(2)30-18-6-5-15-29(30)37-27(16-11-22-34(37)39)28-17-12-24-36-38(28)40(33-21-9-10-23-35(33)41-36)31-19-7-3-13-25(31)26-14-4-8-20-32(26)40/h3-24H,1-2H3
InChIKeyPSGDYEDRNYLPTJ-UHFFFAOYSA-N
MW524.66 g/mol
LogP10.13
Rot. Bonds1

About 1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]

1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene] (PubChem CID 170018138) has the molecular formula C40H28O and a molecular weight of 524.66 g/mol. Its IUPAC name is 1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
PubChem CID170018138
Molecular FormulaC40H28O
Molecular Weight524.66 g/mol
Exact Mass524.21
IUPAC Name1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C40H28O/c1-39(2)30-18-6-5-15-29(30)37-27(16-11-22-34(37)39)28-17-12-24-36-38(28)40(33-21-9-10-23-35(33)41-36)31-19-7-3-13-25(31)26-14-4-8-20-32(26)40/h3-24H,1-2H3
InChIKeyPSGDYEDRNYLPTJ-UHFFFAOYSA-N
XLogP10.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.66
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9-dimethylxanthen-1-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333803
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138476291
4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidine
CID 167349689
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673
9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene
CID 170032976
1-[8-(9,9-dimethylxanthen-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333834
spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,9'-xanthene]
CID 171743028
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)fluoren-2-amine
CID 146333571
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333385

Frequently Asked Questions

What is the IUPAC name of 1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene] (CID 170018138) is 1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene] is CC1(C)c2ccccc2-c2c(-c3cccc4c3C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cccc21.
What is the InChIKey of 1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is PSGDYEDRNYLPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28O/c1-39(2)30-18-6-5-15-29(30)37-27(16-11-22-34(37)39)28-17-12-24-36-38(28)40(33-21-9-10-23-35(33)41-36)31-19-7-3-13-25(31)26-14-4-8-20-32(26)40/h3-24H,1-2H3.
What are the key properties of 1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]?
1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 524.66 g/mol, XLogP of 10.13, 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-4-yl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 170018138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).