9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene

C57H26F24O4 — CID 20870693

IUPAC9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene
SMILESCOc1ccc(C2(c3ccc(Oc4c(F)c(F)c(-c5c(F)c(F)c(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COc6c(F)c(F)c(-c7c(F)c(F)c(C)c(F)c7F)c(F)c6F)c(F)c5F)c(F)c4F)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C57H26F24O4/c1-21-34(58)36(60)30(37(61)35(21)59)31-38(62)44(68)50(45(69)39(31)63)83-19-53(74,75)56(78,79)57(80,81)54(76,77)20-84-51-46(70)40(64)32(41(65)47(51)71)33-42(66)48(72)52(49(73)43(33)67)85-25-17-13-23(14-18-25)55(22-11-15-24(82-2)16-12-22)28-9-5-3-7-26(28)27-8-4-6-10-29(27)55/h3-18H,19-20H2,1-2H3
InChIKeySNDMAHLHPXPWIP-UHFFFAOYSA-N
MW1230.78 g/mol
LogP17.72
Rot. Bonds16

About 9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene

9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene (PubChem CID 20870693) has the molecular formula C57H26F24O4 and a molecular weight of 1230.78 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene
PubChem CID20870693
Molecular FormulaC57H26F24O4
Molecular Weight1230.78 g/mol
Exact Mass1230.14
IUPAC Name9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene
SMILESCOc1ccc(C2(c3ccc(Oc4c(F)c(F)c(-c5c(F)c(F)c(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COc6c(F)c(F)c(-c7c(F)c(F)c(C)c(F)c7F)c(F)c6F)c(F)c5F)c(F)c4F)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C57H26F24O4/c1-21-34(58)36(60)30(37(61)35(21)59)31-38(62)44(68)50(45(69)39(31)63)83-19-53(74,75)56(78,79)57(80,81)54(76,77)20-84-51-46(70)40(64)32(41(65)47(51)71)33-42(66)48(72)52(49(73)43(33)67)85-25-17-13-23(14-18-25)55(22-11-15-24(82-2)16-12-22)28-9-5-3-7-26(28)27-8-4-6-10-29(27)55/h3-18H,19-20H2,1-2H3
InChIKeySNDMAHLHPXPWIP-UHFFFAOYSA-N
XLogP17.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001230.78
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-2',3,5-trifluoro-4''-propyl-1,1':4',1''-terphenyl
CID 59856380
9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene
CID 3764404
4''-Butyl-4-[difluoro(3,4,5-trifluorophenoxy)methyl]-2',3,5-trifluoro-1,1':4',1''-terphenyl
CID 58051774
4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-2',3,5-trifluoro-4''-pentyl-1,1':4',1''-terphenyl
CID 59582833
Oxirane, 2,2'-[9H-fluoren-9-ylidenebis(4,1-phenyleneoxymethylene)]bis-
CID 93249
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-naphthalen-2-yloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 15860451
tFPO-CF2-3HitFB
CID 71811618
tFPO-CF2-2tFB
CID 71811620
5-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-2-propyl-2,3-dihydro-1H-indene
CID 71811658
tFPO-CF2-2HidFP
CID 71811659
4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4''-ethyl-2',3,5-trifluoro-1,1':4',1''-terphenyl
CID 117713239
tFMeOdFPO-CF2-3HidFP
CID 117962214

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene?
The IUPAC name of 9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene (CID 20870693) is 9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene.
What is the SMILES notation for 9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene?
The canonical SMILES for 9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene is COc1ccc(C2(c3ccc(Oc4c(F)c(F)c(-c5c(F)c(F)c(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COc6c(F)c(F)c(-c7c(F)c(F)c(C)c(F)c7F)c(F)c6F)c(F)c5F)c(F)c4F)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene?
The InChIKey is SNDMAHLHPXPWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H26F24O4/c1-21-34(58)36(60)30(37(61)35(21)59)31-38(62)44(68)50(45(69)39(31)63)83-19-53(74,75)56(78,79)57(80,81)54(76,77)20-84-51-46(70)40(64)32(41(65)47(51)71)33-42(66)48(72)52(49(73)43(33)67)85-25-17-13-23(14-18-25)55(22-11-15-24(82-2)16-12-22)28-9-5-3-7-26(28)27-8-4-6-10-29(27)55/h3-18H,19-20H2,1-2H3.
What are the key properties of 9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene?
9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene has a molecular weight of 1230.78 g/mol, XLogP of 17.72, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-9-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,2,3,3,4,4,5,5-octafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]hexoxy]phenyl]phenoxy]phenyl]fluorene is sourced from PubChem (CID 20870693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).