2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene

C71H38F24O4 — CID 130432779

IUPAC2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene
SMILESCc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COc4c(F)c(F)c(-c5c(F)c(F)c(Oc6ccc(-c7ccc(C8(c9cccc(C)c9)c9cc(C)ccc9-c9ccc(C)cc98)cc7)cc6)c(F)c5F)c(F)c4F)c(F)c3F)c(F)c2F)cc1
InChIInChI=1S/C71H38F24O4/c1-29-8-18-37(19-9-29)98-65-59(84)51(76)45(52(77)60(65)85)43-47(72)55(80)63(56(81)48(43)73)96-27-67(88,89)70(92,93)71(94,95)68(90,91)28-97-64-57(82)49(74)44(50(75)58(64)83)46-53(78)61(86)66(62(87)54(46)79)99-38-20-14-34(15-21-38)33-12-16-35(17-13-33)69(36-7-5-6-30(2)24-36)41-25-31(3)10-22-39(41)40-23-11-32(4)26-42(40)69/h5-26H,27-28H2,1-4H3
InChIKeyJKQPVDNIIMICEA-UHFFFAOYSA-N
MW1411.03 g/mol
LogP22.09
Rot. Bonds18

About 2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene

2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene (PubChem CID 130432779) has the molecular formula C71H38F24O4 and a molecular weight of 1411.03 g/mol. Its IUPAC name is 2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene.

Molecular Properties

Compound Name2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene
PubChem CID130432779
Molecular FormulaC71H38F24O4
Molecular Weight1411.03 g/mol
Exact Mass1410.24
IUPAC Name2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene
SMILESCc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COc4c(F)c(F)c(-c5c(F)c(F)c(Oc6ccc(-c7ccc(C8(c9cccc(C)c9)c9cc(C)ccc9-c9ccc(C)cc98)cc7)cc6)c(F)c5F)c(F)c4F)c(F)c3F)c(F)c2F)cc1
InChIInChI=1S/C71H38F24O4/c1-29-8-18-37(19-9-29)98-65-59(84)51(76)45(52(77)60(65)85)43-47(72)55(80)63(56(81)48(43)73)96-27-67(88,89)70(92,93)71(94,95)68(90,91)28-97-64-57(82)49(74)44(50(75)58(64)83)46-53(78)61(86)66(62(87)54(46)79)99-38-20-14-34(15-21-38)33-12-16-35(17-13-33)69(36-7-5-6-30(2)24-36)41-25-31(3)10-22-39(41)40-23-11-32(4)26-42(40)69/h5-26H,27-28H2,1-4H3
InChIKeyJKQPVDNIIMICEA-UHFFFAOYSA-N
XLogP22.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001411.03
LogP ≤ 522.09
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 2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene?
The IUPAC name of 2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene (CID 130432779) is 2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene.
What is the SMILES notation for 2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene?
The canonical SMILES for 2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene is Cc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COc4c(F)c(F)c(-c5c(F)c(F)c(Oc6ccc(-c7ccc(C8(c9cccc(C)c9)c9cc(C)ccc9-c9ccc(C)cc98)cc7)cc6)c(F)c5F)c(F)c4F)c(F)c3F)c(F)c2F)cc1.
What is the InChIKey of 2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene?
The InChIKey is JKQPVDNIIMICEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H38F24O4/c1-29-8-18-37(19-9-29)98-65-59(84)51(76)45(52(77)60(65)85)43-47(72)55(80)63(56(81)48(43)73)96-27-67(88,89)70(92,93)71(94,95)68(90,91)28-97-64-57(82)49(74)44(50(75)58(64)83)46-53(78)61(86)66(62(87)54(46)79)99-38-20-14-34(15-21-38)33-12-16-35(17-13-33)69(36-7-5-6-30(2)24-36)41-25-31(3)10-22-39(41)40-23-11-32(4)26-42(40)69/h5-26H,27-28H2,1-4H3.
What are the key properties of 2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene?
2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene has a molecular weight of 1411.03 g/mol, XLogP of 22.09, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9-(3-methylphenyl)-9-[4-[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-(4-methylphenoxy)phenyl]phenoxy]hexoxy]phenyl]phenoxy]phenyl]phenyl]fluorene is sourced from PubChem (CID 130432779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).