1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene

C51H40Br8F12 — CID 169426455

IUPAC1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene
SMILESCc1c(Br)cc(C(C)(C)c2cc(Br)c(C)c(Br)c2)cc1Br.Cc1c(Br)cc(C(c2cc(Br)c(C)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H10Br4F6.C17H16Br4.C17H14F6/c1-7-11(18)3-9(4-12(7)19)15(16(22,23)24,17(25,26)27)10-5-13(20)8(2)14(21)6-10;1-9-13(18)5-11(6-14(9)19)17(3,4)12-7-15(20)10(2)16(21)8-12;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3-6H,1-2H3;5-8H,1-4H3;3-10H,1-2H3
InChIKeyJIVAUKPQTIAYGC-UHFFFAOYSA-N
MW1520.09 g/mol
LogP22.16
Rot. Bonds6

About 1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene

1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene (PubChem CID 169426455) has the molecular formula C51H40Br8F12 and a molecular weight of 1520.09 g/mol. Its IUPAC name is 1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene
PubChem CID169426455
Molecular FormulaC51H40Br8F12
Molecular Weight1520.09 g/mol
Exact Mass1511.64
IUPAC Name1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene
SMILESCc1c(Br)cc(C(C)(C)c2cc(Br)c(C)c(Br)c2)cc1Br.Cc1c(Br)cc(C(c2cc(Br)c(C)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H10Br4F6.C17H16Br4.C17H14F6/c1-7-11(18)3-9(4-12(7)19)15(16(22,23)24,17(25,26)27)10-5-13(20)8(2)14(21)6-10;1-9-13(18)5-11(6-14(9)19)17(3,4)12-7-15(20)10(2)16(21)8-12;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3-6H,1-2H3;5-8H,1-4H3;3-10H,1-2H3
InChIKeyJIVAUKPQTIAYGC-UHFFFAOYSA-N
XLogP22.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001520.09
LogP ≤ 522.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene with MolForge

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Related Compounds

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CID 393452
1-Bromo-2-[2-bromo-4-tert-butyl-5-(4-phenylphenyl)phenyl]-5-tert-butyl-4-(4-phenylphenyl)benzene
CID 11274114
1,2-Diphenyl-1,2-bis(4-benzylbromophenyl) ethylene
CID 153530011
1,1,2,2-Tetrakis(3'-bromo-[1,1'-biphenyl]-4-yl)ethylene
CID 156698229
2-Bromo-4-[2-(3-bromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-(trifluoromethyl)benzene
CID 20667256
1,3-Dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene
CID 20728680
1,4-Dibromo-2,5-bis(2-bromophenyl)-3,6-bis[4-(trifluoromethyl)phenyl]benzene
CID 57552876
1,4-dibromo-2,5-bis[2-bromo-4,5-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]benzene
CID 57552954
1,4-Dibromo-2,5-bis[2-bromo-4,5-bis[4-(trifluoromethyl)phenyl]phenyl]benzene
CID 57552993
1,4-Dibromo-2,5-bis[2-bromo-4,5-bis[2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]benzene
CID 76563619
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

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene?
The IUPAC name of 1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene (CID 169426455) is 1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene.
What is the SMILES notation for 1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene?
The canonical SMILES for 1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene is Cc1c(Br)cc(C(C)(C)c2cc(Br)c(C)c(Br)c2)cc1Br.Cc1c(Br)cc(C(c2cc(Br)c(C)c(Br)c2)(C(F)(F)F)C(F)(F)F)cc1Br.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene?
The InChIKey is JIVAUKPQTIAYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br4F6.C17H16Br4.C17H14F6/c1-7-11(18)3-9(4-12(7)19)15(16(22,23)24,17(25,26)27)10-5-13(20)8(2)14(21)6-10;1-9-13(18)5-11(6-14(9)19)17(3,4)12-7-15(20)10(2)16(21)8-12;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3-6H,1-2H3;5-8H,1-4H3;3-10H,1-2H3.
What are the key properties of 1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene?
1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene has a molecular weight of 1520.09 g/mol, XLogP of 22.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylbenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-methylphenyl)propan-2-yl]-2-methylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene is sourced from PubChem (CID 169426455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).