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

C54H36Br2F12O3 — CID 23469700

IUPAC4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene
SMILESFC(F)(F)C(OCc1ccccc1)(c1ccccc1Cc1cc(Br)c2ccccc2c1Oc1c(Cc2ccccc2C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)cc(Br)c2ccccc12)C(F)(F)F
InChIInChI=1S/C54H36Br2F12O3/c55-45-29-37(27-35-19-7-13-25-43(35)49(51(57,58)59,52(60,61)62)69-31-33-15-3-1-4-16-33)47(41-23-11-9-21-39(41)45)71-48-38(30-46(56)40-22-10-12-24-42(40)48)28-36-20-8-14-26-44(36)50(53(63,64)65,54(66,67)68)70-32-34-17-5-2-6-18-34/h1-26,29-30H,27-28,31-32H2
InChIKeyZIDLDCPBWZPVFL-UHFFFAOYSA-N
MW1120.66 g/mol
LogP17.57
Rot. Bonds14

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

4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene (PubChem CID 23469700) has the molecular formula C54H36Br2F12O3 and a molecular weight of 1120.66 g/mol. Its IUPAC name is 4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene.

Molecular Properties

Compound Name4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene
PubChem CID23469700
Molecular FormulaC54H36Br2F12O3
Molecular Weight1120.66 g/mol
Exact Mass1118.08
IUPAC Name4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene
SMILESFC(F)(F)C(OCc1ccccc1)(c1ccccc1Cc1cc(Br)c2ccccc2c1Oc1c(Cc2ccccc2C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)cc(Br)c2ccccc12)C(F)(F)F
InChIInChI=1S/C54H36Br2F12O3/c55-45-29-37(27-35-19-7-13-25-43(35)49(51(57,58)59,52(60,61)62)69-31-33-15-3-1-4-16-33)47(41-23-11-9-21-39(41)45)71-48-38(30-46(56)40-22-10-12-24-42(40)48)28-36-20-8-14-26-44(36)50(53(63,64)65,54(66,67)68)70-32-34-17-5-2-6-18-34/h1-26,29-30H,27-28,31-32H2
InChIKeyZIDLDCPBWZPVFL-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 4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene with MolForge

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Related Compounds

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CID 102428744
1-Bromo-2-[(1-bromonaphthalen-2-yl)oxymethyl]-3,4,5,6,7,8-hexafluoronaphthalene
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4-Bromo-2-(4-bromo-8-methoxy-6-methyl-1-propan-2-yloxynaphthalen-2-yl)-8-methoxy-6-methyl-1-propan-2-yloxynaphthalene
CID 11124947
6,6'-Dibromo-2,2'-bis(hexyloxy)-1,1'-binaphthalene
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6,9,19,22-Tetrabromo-5,10,18,23-tetramethoxy-4,11,17,24-tetra(propan-2-yl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene
CID 166060188
12-bromo-9-fluoro-2,8-dimethoxy-6H-naphtho[1,2-c]isochromene
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4-[3-(5-Bromonaphth-2-ylmethoxy)-5-fluorophenyl]-4-methoxytetrahydropyran
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene?
The IUPAC name of 4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene (CID 23469700) is 4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene.
What is the SMILES notation for 4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene?
The canonical SMILES for 4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene is FC(F)(F)C(OCc1ccccc1)(c1ccccc1Cc1cc(Br)c2ccccc2c1Oc1c(Cc2ccccc2C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)cc(Br)c2ccccc12)C(F)(F)F.
What is the InChIKey of 4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene?
The InChIKey is ZIDLDCPBWZPVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36Br2F12O3/c55-45-29-37(27-35-19-7-13-25-43(35)49(51(57,58)59,52(60,61)62)69-31-33-15-3-1-4-16-33)47(41-23-11-9-21-39(41)45)71-48-38(30-46(56)40-22-10-12-24-42(40)48)28-36-20-8-14-26-44(36)50(53(63,64)65,54(66,67)68)70-32-34-17-5-2-6-18-34/h1-26,29-30H,27-28,31-32H2.
What are the key properties of 4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene?
4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene 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 4-bromo-1-[4-bromo-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalen-1-yl]oxy-2-[[2-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)phenyl]methyl]naphthalene is sourced from PubChem (CID 23469700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).