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

C53H54F4O2 — CID 126501924

IUPAC4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol
SMILESCCCCCCCC(F)(F)C1(CC(F)(F)CCCCCC)c2cc(-c3ccc(-c4ccc(O)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc21
InChIInChI=1S/C53H54F4O2/c1-3-5-7-9-11-33-53(56,57)52(36-51(54,55)32-10-8-6-4-2)49-34-43(41-16-12-37(13-17-41)39-20-26-45(58)27-21-39)24-30-47(49)48-31-25-44(35-50(48)52)42-18-14-38(15-19-42)40-22-28-46(59)29-23-40/h12-31,34-35,58-59H,3-11,32-33,36H2,1-2H3
InChIKeyMOZYPZPHOWCZBL-UHFFFAOYSA-N
MW799.01 g/mol
LogP16.02
Rot. Bonds18

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

4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol (PubChem CID 126501924) has the molecular formula C53H54F4O2 and a molecular weight of 799.01 g/mol. Its IUPAC name is 4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol
PubChem CID126501924
Molecular FormulaC53H54F4O2
Molecular Weight799.01 g/mol
Exact Mass798.41
IUPAC Name4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol
SMILESCCCCCCCC(F)(F)C1(CC(F)(F)CCCCCC)c2cc(-c3ccc(-c4ccc(O)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc21
InChIInChI=1S/C53H54F4O2/c1-3-5-7-9-11-33-53(56,57)52(36-51(54,55)32-10-8-6-4-2)49-34-43(41-16-12-37(13-17-41)39-20-26-45(58)27-21-39)24-30-47(49)48-31-25-44(35-50(48)52)42-18-14-38(15-19-42)40-22-28-46(59)29-23-40/h12-31,34-35,58-59H,3-11,32-33,36H2,1-2H3
InChIKeyMOZYPZPHOWCZBL-UHFFFAOYSA-N
XLogP16.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.01
LogP ≤ 516.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol
CID 123523124
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
4-[7-(4-hydroxyphenyl)-9,9-dimethylfluoren-2-yl]phenol
CID 18714128
4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol
CID 126540643
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2,7-bis[3,5-bis(trifluoromethyl)phenyl]-9,9-dioctylfluorene;1-bromo-3,5-bis(trifluoromethyl)benzene
CID 161366573
4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol
CID 174529240
4-(3-octadecoxyphenyl)phenol
CID 91091323
4-[4-(4-butylphenyl)-3-methylphenyl]phenol
CID 71093934
2,2-difluorododecan-1-ol
CID 86222269
4-[4-[7-[4-(4-methoxyphenyl)phenyl]-9,9-bis(1,1,2,2-tetrafluoropropyl)fluoren-2-yl]phenyl]phenol
CID 126540986

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol?
The IUPAC name of 4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol (CID 126501924) is 4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol.
What is the SMILES notation for 4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol?
The canonical SMILES for 4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol is CCCCCCCC(F)(F)C1(CC(F)(F)CCCCCC)c2cc(-c3ccc(-c4ccc(O)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc21.
What is the InChIKey of 4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol?
The InChIKey is MOZYPZPHOWCZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H54F4O2/c1-3-5-7-9-11-33-53(56,57)52(36-51(54,55)32-10-8-6-4-2)49-34-43(41-16-12-37(13-17-41)39-20-26-45(58)27-21-39)24-30-47(49)48-31-25-44(35-50(48)52)42-18-14-38(15-19-42)40-22-28-46(59)29-23-40/h12-31,34-35,58-59H,3-11,32-33,36H2,1-2H3.
What are the key properties of 4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol?
4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol has a molecular weight of 799.01 g/mol, XLogP of 16.02, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[9-(1,1-difluorooctyl)-9-(2,2-difluorooctyl)-7-[4-(4-hydroxyphenyl)phenyl]fluoren-2-yl]phenyl]phenol is sourced from PubChem (CID 126501924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).