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

C44H32F8O2 — CID 126540986

IUPAC4-[4-[7-[4-(4-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol
SMILESCOc1ccc(-c2ccc(-c3ccc4c(c3)C(C(F)(F)C(C)(F)F)(C(F)(F)C(C)(F)F)c3cc(-c5ccc(-c6ccc(O)cc6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C44H32F8O2/c1-40(45,46)43(49,50)42(44(51,52)41(2,47)48)38-24-32(30-8-4-26(5-9-30)28-12-18-34(53)19-13-28)16-22-36(38)37-23-17-33(25-39(37)42)31-10-6-27(7-11-31)29-14-20-35(54-3)21-15-29/h4-25,53H,1-3H3
InChIKeyZGZQWPLJZWYXIO-UHFFFAOYSA-N
MW744.72 g/mol
LogP12.92
Rot. Bonds9

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

4-[4-[7-[4-(4-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol (PubChem CID 126540986) has the molecular formula C44H32F8O2 and a molecular weight of 744.72 g/mol. Its IUPAC name is 4-[4-[7-[4-(4-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[7-[4-(4-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol
PubChem CID126540986
Molecular FormulaC44H32F8O2
Molecular Weight744.72 g/mol
Exact Mass744.23
IUPAC Name4-[4-[7-[4-(4-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol
SMILESCOc1ccc(-c2ccc(-c3ccc4c(c3)C(C(F)(F)C(C)(F)F)(C(F)(F)C(C)(F)F)c3cc(-c5ccc(-c6ccc(O)cc6)cc5)ccc3-4)cc2)cc1
InChIInChI=1S/C44H32F8O2/c1-40(45,46)43(49,50)42(44(51,52)41(2,47)48)38-24-32(30-8-4-26(5-9-30)28-12-18-34(53)19-13-28)16-22-36(38)37-23-17-33(25-39(37)42)31-10-6-27(7-11-31)29-14-20-35(54-3)21-15-29/h4-25,53H,1-3H3
InChIKeyZGZQWPLJZWYXIO-UHFFFAOYSA-N
XLogP12.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.72
LogP ≤ 512.92
H-Bond Donors ≤ 51
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-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol?
The IUPAC name of 4-[4-[7-[4-(4-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol (CID 126540986) is 4-[4-[7-[4-(4-methoxyphenyl)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-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol?
The canonical SMILES for 4-[4-[7-[4-(4-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol is COc1ccc(-c2ccc(-c3ccc4c(c3)C(C(F)(F)C(C)(F)F)(C(F)(F)C(C)(F)F)c3cc(-c5ccc(-c6ccc(O)cc6)cc5)ccc3-4)cc2)cc1.
What is the InChIKey of 4-[4-[7-[4-(4-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol?
The InChIKey is ZGZQWPLJZWYXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32F8O2/c1-40(45,46)43(49,50)42(44(51,52)41(2,47)48)38-24-32(30-8-4-26(5-9-30)28-12-18-34(53)19-13-28)16-22-36(38)37-23-17-33(25-39(37)42)31-10-6-27(7-11-31)29-14-20-35(54-3)21-15-29/h4-25,53H,1-3H3.
What are the key properties of 4-[4-[7-[4-(4-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol?
4-[4-[7-[4-(4-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol has a molecular weight of 744.72 g/mol, XLogP of 12.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-[4-(4-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol is sourced from PubChem (CID 126540986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).