2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline

C18H10Br5N — CID 14223742

IUPAC2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline
SMILESBrc1ccc(N(c2ccc(Br)cc2Br)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C18H10Br5N/c19-11-1-5-14(6-2-11)24(17-7-3-12(20)9-15(17)22)18-8-4-13(21)10-16(18)23/h1-10H
InChIKeyVFLKOFGZFZHDEI-UHFFFAOYSA-N
MW639.81 g/mol
LogP8.97
Rot. Bonds3

About 2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline

2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline (PubChem CID 14223742) has the molecular formula C18H10Br5N and a molecular weight of 639.81 g/mol. Its IUPAC name is 2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline
PubChem CID14223742
Molecular FormulaC18H10Br5N
Molecular Weight639.81 g/mol
Exact Mass634.67
IUPAC Name2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline
SMILESBrc1ccc(N(c2ccc(Br)cc2Br)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C18H10Br5N/c19-11-1-5-14(6-2-11)24(17-7-3-12(20)9-15(17)22)18-8-4-13(21)10-16(18)23/h1-10H
InChIKeyVFLKOFGZFZHDEI-UHFFFAOYSA-N
XLogP8.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.81
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline?
The IUPAC name of 2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline (CID 14223742) is 2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline.
What is the SMILES notation for 2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline?
The canonical SMILES for 2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline is Brc1ccc(N(c2ccc(Br)cc2Br)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of 2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline?
The InChIKey is VFLKOFGZFZHDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br5N/c19-11-1-5-14(6-2-11)24(17-7-3-12(20)9-15(17)22)18-8-4-13(21)10-16(18)23/h1-10H.
What are the key properties of 2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline?
2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline has a molecular weight of 639.81 g/mol, XLogP of 8.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(4-bromophenyl)-N-(2,4-dibromophenyl)aniline is sourced from PubChem (CID 14223742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).