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

C18H9Br6N — CID 11468208

IUPAC2,4-dibromo-N,N-bis(2,4-dibromophenyl)aniline
SMILESBrc1ccc(N(c2ccc(Br)cc2Br)c2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C18H9Br6N/c19-10-1-4-16(13(22)7-10)25(17-5-2-11(20)8-14(17)23)18-6-3-12(21)9-15(18)24/h1-9H
InChIKeyKLOKRJIOLRCMRK-UHFFFAOYSA-N
MW718.70 g/mol
LogP9.73
Rot. Bonds3

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

2,4-dibromo-N,N-bis(2,4-dibromophenyl)aniline (PubChem CID 11468208) has the molecular formula C18H9Br6N and a molecular weight of 718.70 g/mol. Its IUPAC name is 2,4-dibromo-N,N-bis(2,4-dibromophenyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-N,N-bis(2,4-dibromophenyl)aniline
PubChem CID11468208
Molecular FormulaC18H9Br6N
Molecular Weight718.70 g/mol
Exact Mass712.58
IUPAC Name2,4-dibromo-N,N-bis(2,4-dibromophenyl)aniline
SMILESBrc1ccc(N(c2ccc(Br)cc2Br)c2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C18H9Br6N/c19-10-1-4-16(13(22)7-10)25(17-5-2-11(20)8-14(17)23)18-6-3-12(21)9-15(18)24/h1-9H
InChIKeyKLOKRJIOLRCMRK-UHFFFAOYSA-N
XLogP9.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.70
LogP ≤ 59.73
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,N-bis(2,4-dibromophenyl)aniline?
The IUPAC name of 2,4-dibromo-N,N-bis(2,4-dibromophenyl)aniline (CID 11468208) is 2,4-dibromo-N,N-bis(2,4-dibromophenyl)aniline.
What is the SMILES notation for 2,4-dibromo-N,N-bis(2,4-dibromophenyl)aniline?
The canonical SMILES for 2,4-dibromo-N,N-bis(2,4-dibromophenyl)aniline is Brc1ccc(N(c2ccc(Br)cc2Br)c2ccc(Br)cc2Br)c(Br)c1.
What is the InChIKey of 2,4-dibromo-N,N-bis(2,4-dibromophenyl)aniline?
The InChIKey is KLOKRJIOLRCMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Br6N/c19-10-1-4-16(13(22)7-10)25(17-5-2-11(20)8-14(17)23)18-6-3-12(21)9-15(18)24/h1-9H.
What are the key properties of 2,4-dibromo-N,N-bis(2,4-dibromophenyl)aniline?
2,4-dibromo-N,N-bis(2,4-dibromophenyl)aniline has a molecular weight of 718.70 g/mol, XLogP of 9.73, 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,N-bis(2,4-dibromophenyl)aniline is sourced from PubChem (CID 11468208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).