9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene

C88H84F6O2 — CID 54487972

IUPAC9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
SMILESCc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(C2(c3ccc(C)c(C)c3)c3ccccc3-c3ccccc32)cc1C.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)c(C)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1C.Cc1ccc2c(C)c(C)ccc2c1C
InChIInChI=1S/C31H26F6O2.C29H26.2C14H16/c1-19-5-11-27(17-21(19)3)38-25-13-7-23(8-14-25)29(30(32,33)34,31(35,36)37)24-9-15-26(16-10-24)39-28-12-6-20(2)22(4)18-28;1-19-13-15-23(17-21(19)3)29(24-16-14-20(2)22(4)18-24)27-11-7-5-9-25(27)26-10-6-8-12-28(26)29;1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-9-5-7-14-12(4)10(2)6-8-13(14)11(9)3/h5-18H,1-4H3;5-18H,1-4H3;2*5-8H,1-4H3
InChIKeyXTSFKUQNBWVXIF-UHFFFAOYSA-N
MW1287.63 g/mol
LogP25.35
Rot. Bonds8

About 9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene

9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene (PubChem CID 54487972) has the molecular formula C88H84F6O2 and a molecular weight of 1287.63 g/mol. Its IUPAC name is 9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene.

Molecular Properties

Compound Name9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
PubChem CID54487972
Molecular FormulaC88H84F6O2
Molecular Weight1287.63 g/mol
Exact Mass1286.64
IUPAC Name9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
SMILESCc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(C2(c3ccc(C)c(C)c3)c3ccccc3-c3ccccc32)cc1C.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)c(C)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1C.Cc1ccc2c(C)c(C)ccc2c1C
InChIInChI=1S/C31H26F6O2.C29H26.2C14H16/c1-19-5-11-27(17-21(19)3)38-25-13-7-23(8-14-25)29(30(32,33)34,31(35,36)37)24-9-15-26(16-10-24)39-28-12-6-20(2)22(4)18-28;1-19-13-15-23(17-21(19)3)29(24-16-14-20(2)22(4)18-24)27-11-7-5-9-25(27)26-10-6-8-12-28(26)29;1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-9-5-7-14-12(4)10(2)6-8-13(14)11(9)3/h5-18H,1-4H3;5-18H,1-4H3;2*5-8H,1-4H3
InChIKeyXTSFKUQNBWVXIF-UHFFFAOYSA-N
XLogP25.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001287.63
LogP ≤ 525.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene with MolForge

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Related Compounds

(8R,9S,13S,14S,17R)-13-methyl-17-[(4-phenylmethoxyphenyl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 10742925
2-Methoxy-6-[3-methoxy-5-(6-methoxy-2-naphthyl)phenyl]naphthalene
CID 59443492
Naphthalene, 2-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-
CID 3067138
Naphthalene, 2-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-6-methyl-
CID 3067605
Naphthalene, 2-(1,1-dimethyl-2-((4-fluoro-3-phenoxyphenyl)methoxy)ethyl)-
CID 3068480
(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
7,15,16,17-tetrahydro-3-methoxy-17,17-dimethyl-6H-cyclopenta[a]phenanthrene
CID 53671047
(3R,4S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-[(4-phenylmethoxyphenyl)methyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67882796
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

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene?
The IUPAC name of 9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene (CID 54487972) is 9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene.
What is the SMILES notation for 9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene?
The canonical SMILES for 9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene is Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(C2(c3ccc(C)c(C)c3)c3ccccc3-c3ccccc32)cc1C.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)c(C)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1C.Cc1ccc2c(C)c(C)ccc2c1C.
What is the InChIKey of 9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene?
The InChIKey is XTSFKUQNBWVXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F6O2.C29H26.2C14H16/c1-19-5-11-27(17-21(19)3)38-25-13-7-23(8-14-25)29(30(32,33)34,31(35,36)37)24-9-15-26(16-10-24)39-28-12-6-20(2)22(4)18-28;1-19-13-15-23(17-21(19)3)29(24-16-14-20(2)22(4)18-24)27-11-7-5-9-25(27)26-10-6-8-12-28(26)29;1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-9-5-7-14-12(4)10(2)6-8-13(14)11(9)3/h5-18H,1-4H3;5-18H,1-4H3;2*5-8H,1-4H3.
What are the key properties of 9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene?
9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene has a molecular weight of 1287.63 g/mol, XLogP of 25.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(3,4-dimethylphenyl)fluorene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-1,2-dimethylbenzene;1,2,5,6-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene is sourced from PubChem (CID 54487972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).