4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol

C37H24O3 — CID 23369045

IUPAC4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol
SMILESOc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccc(O)cc5)ccc4O3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H24O3/c38-27-15-9-23(10-16-27)25-13-19-35-33(21-25)37(31-7-3-1-5-29(31)30-6-2-4-8-32(30)37)34-22-26(14-20-36(34)40-35)24-11-17-28(39)18-12-24/h1-22,38-39H
InChIKeyLDCUYCOFQGXSRK-UHFFFAOYSA-N
MW516.60 g/mol
LogP8.90
Rot. Bonds2

About 4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol

4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol (PubChem CID 23369045) has the molecular formula C37H24O3 and a molecular weight of 516.60 g/mol. Its IUPAC name is 4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol.

Molecular Properties

Compound Name4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol
PubChem CID23369045
Molecular FormulaC37H24O3
Molecular Weight516.60 g/mol
Exact Mass516.17
IUPAC Name4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol
SMILESOc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccc(O)cc5)ccc4O3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H24O3/c38-27-15-9-23(10-16-27)25-13-19-35-33(21-25)37(31-7-3-1-5-29(31)30-6-2-4-8-32(30)37)34-22-26(14-20-36(34)40-35)24-11-17-28(39)18-12-24/h1-22,38-39H
InChIKeyLDCUYCOFQGXSRK-UHFFFAOYSA-N
XLogP8.90
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 58.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol
CID 23369068
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 122629683
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388508
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184

Frequently Asked Questions

What is the IUPAC name of 4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol?
The IUPAC name of 4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol (CID 23369045) is 4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol.
What is the SMILES notation for 4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol?
The canonical SMILES for 4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol is Oc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccc(O)cc5)ccc4O3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol?
The InChIKey is LDCUYCOFQGXSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24O3/c38-27-15-9-23(10-16-27)25-13-19-35-33(21-25)37(31-7-3-1-5-29(31)30-6-2-4-8-32(30)37)34-22-26(14-20-36(34)40-35)24-11-17-28(39)18-12-24/h1-22,38-39H.
What are the key properties of 4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol?
4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol has a molecular weight of 516.60 g/mol, XLogP of 8.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol is sourced from PubChem (CID 23369045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).