1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene

C30H16Br2F12 — CID 87565846

IUPAC1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
SMILESFC(F)(F)C(c1ccc(Br)cc1)(c1ccc(-c2ccc(C(c3ccc(Br)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F
InChIInChI=1S/C30H16Br2F12/c31-23-13-9-21(10-14-23)25(27(33,34)35,28(36,37)38)19-5-1-17(2-6-19)18-3-7-20(8-4-18)26(29(39,40)41,30(42,43)44)22-11-15-24(32)16-12-22/h1-16H
InChIKeyBJXKSLGOZVHHPY-UHFFFAOYSA-N
MW764.24 g/mol
LogP11.70
Rot. Bonds5

About 1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene

1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene (PubChem CID 87565846) has the molecular formula C30H16Br2F12 and a molecular weight of 764.24 g/mol. Its IUPAC name is 1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
PubChem CID87565846
Molecular FormulaC30H16Br2F12
Molecular Weight764.24 g/mol
Exact Mass761.94
IUPAC Name1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
SMILESFC(F)(F)C(c1ccc(Br)cc1)(c1ccc(-c2ccc(C(c3ccc(Br)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F
InChIInChI=1S/C30H16Br2F12/c31-23-13-9-21(10-14-23)25(27(33,34)35,28(36,37)38)19-5-1-17(2-6-19)18-3-7-20(8-4-18)26(29(39,40)41,30(42,43)44)22-11-15-24(32)16-12-22/h1-16H
InChIKeyBJXKSLGOZVHHPY-UHFFFAOYSA-N
XLogP11.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.24
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
The IUPAC name of 1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene (CID 87565846) is 1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene is FC(F)(F)C(c1ccc(Br)cc1)(c1ccc(-c2ccc(C(c3ccc(Br)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F.
What is the InChIKey of 1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
The InChIKey is BJXKSLGOZVHHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16Br2F12/c31-23-13-9-21(10-14-23)25(27(33,34)35,28(36,37)38)19-5-1-17(2-6-19)18-3-7-20(8-4-18)26(29(39,40)41,30(42,43)44)22-11-15-24(32)16-12-22/h1-16H.
What are the key properties of 1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene has a molecular weight of 764.24 g/mol, XLogP of 11.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-[4-[4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene is sourced from PubChem (CID 87565846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).