1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene

C25H16Br4 — CID 91468262

IUPAC1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene
SMILESBrc1cc(-c2ccccc2)cc(Br)c1Cc1c(Br)cc(-c2ccccc2)cc1Br
InChIInChI=1S/C25H16Br4/c26-22-11-18(16-7-3-1-4-8-16)12-23(27)20(22)15-21-24(28)13-19(14-25(21)29)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyJWLHEXZFCCTCGG-UHFFFAOYSA-N
MW636.02 g/mol
LogP9.66
Rot. Bonds4

About 1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene

1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene (PubChem CID 91468262) has the molecular formula C25H16Br4 and a molecular weight of 636.02 g/mol. Its IUPAC name is 1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene.

Molecular Properties

Compound Name1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene
PubChem CID91468262
Molecular FormulaC25H16Br4
Molecular Weight636.02 g/mol
Exact Mass631.80
IUPAC Name1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene
SMILESBrc1cc(-c2ccccc2)cc(Br)c1Cc1c(Br)cc(-c2ccccc2)cc1Br
InChIInChI=1S/C25H16Br4/c26-22-11-18(16-7-3-1-4-8-16)12-23(27)20(22)15-21-24(28)13-19(14-25(21)29)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyJWLHEXZFCCTCGG-UHFFFAOYSA-N
XLogP9.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.02
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-Bromobenz(a)anthracene
CID 72849
1-Bromopyrene
CID 159627
9-Bromo-10-phenyl-anthracene
CID 4155836
4,4''-Dibromo-p-terphenyl
CID 12455998
1,3,6,8-Tetrabromopyrene
CID 67188
2'-Bromo-5'-phenyl-1,1':3',1''-terphenyl
CID 292152
Tetrakis(4-bromophenyl)ethylene
CID 11828419
2'-Bromo-4,4''-dimethyl-(1,1',3',1'')terphenyl
CID 4279322
5,11-Dibromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene [
CID 5200652
Tetrakis(4-bromophenyl)methane
CID 11250692
2,2'-Dibromo-4,4'-di-tert-butyl-biphenyl
CID 12541265
Pyrene, 1,6-Dibromo-
CID 176470

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene?
The IUPAC name of 1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene (CID 91468262) is 1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene.
What is the SMILES notation for 1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene?
The canonical SMILES for 1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene is Brc1cc(-c2ccccc2)cc(Br)c1Cc1c(Br)cc(-c2ccccc2)cc1Br.
What is the InChIKey of 1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene?
The InChIKey is JWLHEXZFCCTCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br4/c26-22-11-18(16-7-3-1-4-8-16)12-23(27)20(22)15-21-24(28)13-19(14-25(21)29)17-9-5-2-6-10-17/h1-14H,15H2.
What are the key properties of 1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene?
1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene has a molecular weight of 636.02 g/mol, XLogP of 9.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene is sourced from PubChem (CID 91468262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).