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

C43H30F8O2 — CID 126540643

IUPAC4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol
SMILESCC(F)(F)C(F)(F)C1(C(F)(F)C(C)(F)F)c2cc(-c3ccc(-c4ccc(O)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc21
InChIInChI=1S/C43H30F8O2/c1-39(44,45)42(48,49)41(43(50,51)40(2,46)47)37-23-31(29-7-3-25(4-8-29)27-11-17-33(52)18-12-27)15-21-35(37)36-22-16-32(24-38(36)41)30-9-5-26(6-10-30)28-13-19-34(53)20-14-28/h3-24,52-53H,1-2H3
InChIKeyXVGYOBQYQAZWQG-UHFFFAOYSA-N
MW730.70 g/mol
LogP12.61
Rot. Bonds8

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

4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol (PubChem CID 126540643) has the molecular formula C43H30F8O2 and a molecular weight of 730.70 g/mol. Its IUPAC name is 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol
PubChem CID126540643
Molecular FormulaC43H30F8O2
Molecular Weight730.70 g/mol
Exact Mass730.21
IUPAC Name4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol
SMILESCC(F)(F)C(F)(F)C1(C(F)(F)C(C)(F)F)c2cc(-c3ccc(-c4ccc(O)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc21
InChIInChI=1S/C43H30F8O2/c1-39(44,45)42(48,49)41(43(50,51)40(2,46)47)37-23-31(29-7-3-25(4-8-29)27-11-17-33(52)18-12-27)15-21-35(37)36-22-16-32(24-38(36)41)30-9-5-26(6-10-30)28-13-19-34(53)20-14-28/h3-24,52-53H,1-2H3
InChIKeyXVGYOBQYQAZWQG-UHFFFAOYSA-N
XLogP12.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.70
LogP ≤ 512.61
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-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol?
The IUPAC name of 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol (CID 126540643) is 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol.
What is the SMILES notation for 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol?
The canonical SMILES for 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol is CC(F)(F)C(F)(F)C1(C(F)(F)C(C)(F)F)c2cc(-c3ccc(-c4ccc(O)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc21.
What is the InChIKey of 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol?
The InChIKey is XVGYOBQYQAZWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30F8O2/c1-39(44,45)42(48,49)41(43(50,51)40(2,46)47)37-23-31(29-7-3-25(4-8-29)27-11-17-33(52)18-12-27)15-21-35(37)36-22-16-32(24-38(36)41)30-9-5-26(6-10-30)28-13-19-34(53)20-14-28/h3-24,52-53H,1-2H3.
What are the key properties of 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol?
4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol has a molecular weight of 730.70 g/mol, XLogP of 12.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol is sourced from PubChem (CID 126540643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).