2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline

C18H15Br2N — CID 145125936

IUPAC2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline
SMILESBrC1=C(N(c2ccccc2)c2ccccc2Br)C=CCC1
InChIInChI=1S/C18H15Br2N/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20/h1-4,6-10,12-13H,5,11H2
InChIKeyLBIJHVWMCIIRNC-UHFFFAOYSA-N
MW405.13 g/mol
LogP6.54
Rot. Bonds3

About 2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline

2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline (PubChem CID 145125936) has the molecular formula C18H15Br2N and a molecular weight of 405.13 g/mol. Its IUPAC name is 2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline.

Molecular Properties

Compound Name2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline
PubChem CID145125936
Molecular FormulaC18H15Br2N
Molecular Weight405.13 g/mol
Exact Mass402.96
IUPAC Name2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline
SMILESBrC1=C(N(c2ccccc2)c2ccccc2Br)C=CCC1
InChIInChI=1S/C18H15Br2N/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20/h1-4,6-10,12-13H,5,11H2
InChIKeyLBIJHVWMCIIRNC-UHFFFAOYSA-N
XLogP6.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.13
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(4-methylphenyl)-N-phenylaniline
CID 138413970
N-(2-bromophenyl)-N-phenylthiophen-2-amine
CID 155666006
ethane;6-N-(2-fluorocyclohexa-1,5-dien-1-yl)-1-N-(2-fluorophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 144777503
2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 170040263
N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 89061027
N,N-diphenyl-3,4-dihydrochrysen-6-amine
CID 89056693
4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 143685003
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
N-(2-bromophenyl)-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine
CID 170929734
8-bromo-N,N-diphenyl-3,4-dihydronaphthalen-2-amine
CID 59960093
3-[4-(3-hydroxy-N-(2-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-2-phenylanilino)phenyl]-2-phenylphenol
CID 166775670
2-methyl-N-(2-methylcyclohexa-1,5-dien-1-yl)-N-[4-(2-methyl-4,5-diphenyl-3H-1,2,4-triazol-3-yl)phenyl]aniline
CID 142355939

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline?
The IUPAC name of 2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline (CID 145125936) is 2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline.
What is the SMILES notation for 2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline?
The canonical SMILES for 2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline is BrC1=C(N(c2ccccc2)c2ccccc2Br)C=CCC1.
What is the InChIKey of 2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline?
The InChIKey is LBIJHVWMCIIRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2N/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20/h1-4,6-10,12-13H,5,11H2.
What are the key properties of 2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline?
2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline has a molecular weight of 405.13 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromocyclohexa-1,5-dien-1-yl)-N-phenylaniline is sourced from PubChem (CID 145125936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).