spiro[4,4a-dihydrofluorene-9,9'-xanthene]

C25H18O — CID 155576891

IUPACspiro[4,4a-dihydrofluorene-9,9'-xanthene]
SMILESC1=CCC2C(=C1)C1(c3ccccc3Oc3ccccc31)c1ccccc12
InChIInChI=1S/C25H18O/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)25(19)21-13-5-7-15-23(21)26-24-16-8-6-14-22(24)25/h1-9,11-16,18H,10H2
InChIKeyUEDMYHDPDVEGOE-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.11
Rot. Bonds

About spiro[4,4a-dihydrofluorene-9,9'-xanthene]

spiro[4,4a-dihydrofluorene-9,9'-xanthene] (PubChem CID 155576891) has the molecular formula C25H18O and a molecular weight of 334.42 g/mol. Its IUPAC name is spiro[4,4a-dihydrofluorene-9,9'-xanthene].

Molecular Properties

Compound Namespiro[4,4a-dihydrofluorene-9,9'-xanthene]
PubChem CID155576891
Molecular FormulaC25H18O
Molecular Weight334.42 g/mol
Exact Mass334.14
IUPAC Namespiro[4,4a-dihydrofluorene-9,9'-xanthene]
SMILESC1=CCC2C(=C1)C1(c3ccccc3Oc3ccccc31)c1ccccc12
InChIInChI=1S/C25H18O/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)25(19)21-13-5-7-15-23(21)26-24-16-8-6-14-22(24)25/h1-9,11-16,18H,10H2
InChIKeyUEDMYHDPDVEGOE-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[4,4a-dihydrofluorene-9,9'-fluorene]
CID 154012789
4-(9-phenyl-4,4a-dihydrofluoren-9-yl)dibenzothiophene
CID 70991495
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine
CID 71249416
4-[9-(4-hydroxy-3-prop-2-enylphenyl)-4,4a-dihydrofluoren-9-yl]-2-prop-2-enylphenol
CID 130371878
1-N,1-N-diphenyl-8-N-[4-(9-phenyl-4,4a-dihydrofluoren-9-yl)phenyl]-8-N-(4'-phenylspiro[fluorene-9,9'-xanthene]-2'-yl)dibenzofuran-1,8-diamine
CID 168799235
4-phenyl-6-(6-phenylcyclohexa-1,3-dien-1-yl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 155443087
2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine
CID 174297442
N,4-diphenyl-N-(4-spiro[4b,5-dihydrofluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-1-ylphenyl)aniline
CID 130380191
4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline
CID 144857237
2,4-diphenyl-6-[4-(4-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-3'-ylphenyl)phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2-[3-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159276468
4a,9-dihydro-4H-fluorene
CID 123273632
spiro[thioxanthene-9,9'-xanthene]
CID 59096341

Frequently Asked Questions

What is the IUPAC name of spiro[4,4a-dihydrofluorene-9,9'-xanthene]?
The IUPAC name of spiro[4,4a-dihydrofluorene-9,9'-xanthene] (CID 155576891) is spiro[4,4a-dihydrofluorene-9,9'-xanthene].
What is the SMILES notation for spiro[4,4a-dihydrofluorene-9,9'-xanthene]?
The canonical SMILES for spiro[4,4a-dihydrofluorene-9,9'-xanthene] is C1=CCC2C(=C1)C1(c3ccccc3Oc3ccccc31)c1ccccc12.
What is the InChIKey of spiro[4,4a-dihydrofluorene-9,9'-xanthene]?
The InChIKey is UEDMYHDPDVEGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)25(19)21-13-5-7-15-23(21)26-24-16-8-6-14-22(24)25/h1-9,11-16,18H,10H2.
What are the key properties of spiro[4,4a-dihydrofluorene-9,9'-xanthene]?
spiro[4,4a-dihydrofluorene-9,9'-xanthene] has a molecular weight of 334.42 g/mol, XLogP of 6.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,4a-dihydrofluorene-9,9'-xanthene] is sourced from PubChem (CID 155576891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).