2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene

C54H36Br2F12O3 — CID 57285610

IUPAC2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene
SMILESFC(F)(F)C(OCc1ccccc1)(c1cc(Br)ccc1Cc1ccc2ccccc2c1Oc1c(Cc2ccc(Br)cc2C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)C(F)(F)F
InChIInChI=1S/C54H36Br2F12O3/c55-41-25-23-37(45(29-41)49(51(57,58)59,52(60,61)62)69-31-33-11-3-1-4-12-33)27-39-21-19-35-15-7-9-17-43(35)47(39)71-48-40(22-20-36-16-8-10-18-44(36)48)28-38-24-26-42(56)30-46(38)50(53(63,64)65,54(66,67)68)70-32-34-13-5-2-6-14-34/h1-26,29-30H,27-28,31-32H2
InChIKeyGPJIESKDSNRCPO-UHFFFAOYSA-N
MW1120.66 g/mol
LogP17.57
Rot. Bonds14

About 2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene

2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene (PubChem CID 57285610) has the molecular formula C54H36Br2F12O3 and a molecular weight of 1120.66 g/mol. Its IUPAC name is 2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene.

Molecular Properties

Compound Name2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene
PubChem CID57285610
Molecular FormulaC54H36Br2F12O3
Molecular Weight1120.66 g/mol
Exact Mass1118.08
IUPAC Name2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene
SMILESFC(F)(F)C(OCc1ccccc1)(c1cc(Br)ccc1Cc1ccc2ccccc2c1Oc1c(Cc2ccc(Br)cc2C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)C(F)(F)F
InChIInChI=1S/C54H36Br2F12O3/c55-41-25-23-37(45(29-41)49(51(57,58)59,52(60,61)62)69-31-33-11-3-1-4-12-33)27-39-21-19-35-15-7-9-17-43(35)47(39)71-48-40(22-20-36-16-8-10-18-44(36)48)28-38-24-26-42(56)30-46(38)50(53(63,64)65,54(66,67)68)70-32-34-13-5-2-6-14-34/h1-26,29-30H,27-28,31-32H2
InChIKeyGPJIESKDSNRCPO-UHFFFAOYSA-N
XLogP17.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001120.66
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene?
The IUPAC name of 2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene (CID 57285610) is 2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene.
What is the SMILES notation for 2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene?
The canonical SMILES for 2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene is FC(F)(F)C(OCc1ccccc1)(c1cc(Br)ccc1Cc1ccc2ccccc2c1Oc1c(Cc2ccc(Br)cc2C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)C(F)(F)F.
What is the InChIKey of 2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene?
The InChIKey is GPJIESKDSNRCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36Br2F12O3/c55-41-25-23-37(45(29-41)49(51(57,58)59,52(60,61)62)69-31-33-11-3-1-4-12-33)27-39-21-19-35-15-7-9-17-43(35)47(39)71-48-40(22-20-36-16-8-10-18-44(36)48)28-38-24-26-42(56)30-46(38)50(53(63,64)65,54(66,67)68)70-32-34-13-5-2-6-14-34/h1-26,29-30H,27-28,31-32H2.
What are the key properties of 2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene?
2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene has a molecular weight of 1120.66 g/mol, XLogP of 17.57, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]-1-[2-[[4-bromo-2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxynaphthalene is sourced from PubChem (CID 57285610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).