N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane

C34H31Br2N — CID 170567518

IUPACN,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane
SMILESCC.Cc1cc(N(c2ccc(Br)c(C)c2)c2ccc(-c3ccccc3)cc2-c2ccccc2)ccc1Br
InChIInChI=1S/C32H25Br2N.C2H6/c1-22-19-27(14-16-30(22)33)35(28-15-17-31(34)23(2)20-28)32-18-13-26(24-9-5-3-6-10-24)21-29(32)25-11-7-4-8-12-25;1-2/h3-21H,1-2H3;1-2H3
InChIKeyAKEOSKLWYGDPQT-UHFFFAOYSA-N
MW613.44 g/mol
LogP11.66
Rot. Bonds5

About N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane

N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane (PubChem CID 170567518) has the molecular formula C34H31Br2N and a molecular weight of 613.44 g/mol. Its IUPAC name is N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane.

Molecular Properties

Compound NameN,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane
PubChem CID170567518
Molecular FormulaC34H31Br2N
Molecular Weight613.44 g/mol
Exact Mass611.08
IUPAC NameN,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane
SMILESCC.Cc1cc(N(c2ccc(Br)c(C)c2)c2ccc(-c3ccccc3)cc2-c2ccccc2)ccc1Br
InChIInChI=1S/C32H25Br2N.C2H6/c1-22-19-27(14-16-30(22)33)35(28-15-17-31(34)23(2)20-28)32-18-13-26(24-9-5-3-6-10-24)21-29(32)25-11-7-4-8-12-25;1-2/h3-21H,1-2H3;1-2H3
InChIKeyAKEOSKLWYGDPQT-UHFFFAOYSA-N
XLogP11.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.44
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
4-bromo-3-methyl-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline;3-methyl-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
CID 161237302
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 121322768
N-(3-ethylphenyl)-N,2,4-triphenylaniline
CID 20734354
2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline
CID 121323397

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane?
The IUPAC name of N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane (CID 170567518) is N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane.
What is the SMILES notation for N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane?
The canonical SMILES for N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane is CC.Cc1cc(N(c2ccc(Br)c(C)c2)c2ccc(-c3ccccc3)cc2-c2ccccc2)ccc1Br.
What is the InChIKey of N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane?
The InChIKey is AKEOSKLWYGDPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25Br2N.C2H6/c1-22-19-27(14-16-30(22)33)35(28-15-17-31(34)23(2)20-28)32-18-13-26(24-9-5-3-6-10-24)21-29(32)25-11-7-4-8-12-25;1-2/h3-21H,1-2H3;1-2H3.
What are the key properties of N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane?
N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane has a molecular weight of 613.44 g/mol, XLogP of 11.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromo-3-methylphenyl)-2,4-diphenylaniline;ethane is sourced from PubChem (CID 170567518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).