6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene

C31H32F2 — CID 118908523

IUPAC6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene
SMILESCc1cc(C)c(Cc2cc(C)c(Cc3cc(C)c4c(F)c(C)c(F)cc4c3)c(C)c2)c(C)c1
InChIInChI=1S/C31H32F2/c1-17-8-18(2)27(19(3)9-17)14-24-10-20(4)28(21(5)11-24)15-25-12-22(6)30-26(13-25)16-29(32)23(7)31(30)33/h8-13,16H,14-15H2,1-7H3
InChIKeyLOXBRYQDKLFCOB-UHFFFAOYSA-N
MW442.59 g/mol
LogP8.46
Rot. Bonds4

About 6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene

6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene (PubChem CID 118908523) has the molecular formula C31H32F2 and a molecular weight of 442.59 g/mol. Its IUPAC name is 6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene.

Molecular Properties

Compound Name6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene
PubChem CID118908523
Molecular FormulaC31H32F2
Molecular Weight442.59 g/mol
Exact Mass442.25
IUPAC Name6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene
SMILESCc1cc(C)c(Cc2cc(C)c(Cc3cc(C)c4c(F)c(C)c(F)cc4c3)c(C)c2)c(C)c1
InChIInChI=1S/C31H32F2/c1-17-8-18(2)27(19(3)9-17)14-24-10-20(4)28(21(5)11-24)15-25-12-22(6)30-26(13-25)16-29(32)23(7)31(30)33/h8-13,16H,14-15H2,1-7H3
InChIKeyLOXBRYQDKLFCOB-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.59
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene?
The IUPAC name of 6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene (CID 118908523) is 6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene.
What is the SMILES notation for 6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene?
The canonical SMILES for 6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene is Cc1cc(C)c(Cc2cc(C)c(Cc3cc(C)c4c(F)c(C)c(F)cc4c3)c(C)c2)c(C)c1.
What is the InChIKey of 6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene?
The InChIKey is LOXBRYQDKLFCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2/c1-17-8-18(2)27(19(3)9-17)14-24-10-20(4)28(21(5)11-24)15-25-12-22(6)30-26(13-25)16-29(32)23(7)31(30)33/h8-13,16H,14-15H2,1-7H3.
What are the key properties of 6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene?
6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene has a molecular weight of 442.59 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene is sourced from PubChem (CID 118908523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).