4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol

C33H16F18O2 — CID 171920647

IUPAC4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)c3cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc3-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc32)cc1
InChIInChI=1S/C33H16F18O2/c34-26(35,28(38,39)30(42,43)32(46,47)48)17-5-11-21-22-12-6-18(27(36,37)29(40,41)31(44,45)33(49,50)51)14-24(22)25(23(21)13-17,15-1-7-19(52)8-2-15)16-3-9-20(53)10-4-16/h1-14,52-53H
InChIKeyGXXOCXLTCQWCPZ-UHFFFAOYSA-N
MW786.45 g/mol
LogP11.31
Rot. Bonds8

About 4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol

4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol (PubChem CID 171920647) has the molecular formula C33H16F18O2 and a molecular weight of 786.45 g/mol. Its IUPAC name is 4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol
PubChem CID171920647
Molecular FormulaC33H16F18O2
Molecular Weight786.45 g/mol
Exact Mass786.09
IUPAC Name4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)c3cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc3-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc32)cc1
InChIInChI=1S/C33H16F18O2/c34-26(35,28(38,39)30(42,43)32(46,47)48)17-5-11-21-22-12-6-18(27(36,37)29(40,41)31(44,45)33(49,50)51)14-24(22)25(23(21)13-17,15-1-7-19(52)8-2-15)16-3-9-20(53)10-4-16/h1-14,52-53H
InChIKeyGXXOCXLTCQWCPZ-UHFFFAOYSA-N
XLogP11.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.45
LogP ≤ 511.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol?
The IUPAC name of 4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol (CID 171920647) is 4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol.
What is the SMILES notation for 4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol?
The canonical SMILES for 4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol is Oc1ccc(C2(c3ccc(O)cc3)c3cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc3-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc32)cc1.
What is the InChIKey of 4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol?
The InChIKey is GXXOCXLTCQWCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H16F18O2/c34-26(35,28(38,39)30(42,43)32(46,47)48)17-5-11-21-22-12-6-18(27(36,37)29(40,41)31(44,45)33(49,50)51)14-24(22)25(23(21)13-17,15-1-7-19(52)8-2-15)16-3-9-20(53)10-4-16/h1-14,52-53H.
What are the key properties of 4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol?
4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol has a molecular weight of 786.45 g/mol, XLogP of 11.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-hydroxyphenyl)-2,7-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)fluoren-9-yl]phenol is sourced from PubChem (CID 171920647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).