iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline

C41H43IN2O4 — CID 160760862

IUPACiodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline
SMILESC.COc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(Nc2ccc(OC)cc2)cc1.Ic1ccccc1
InChIInChI=1S/C20H19NO2.C14H15NO2.C6H5I.CH4/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18;1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;7-6-4-2-1-3-5-6;/h3-15H,1-2H3;3-10,15H,1-2H3;1-5H;1H4
InChIKeyRYAXAMUFDXLTRJ-UHFFFAOYSA-N
MW754.71 g/mol
LogP11.55
Rot. Bonds9

About iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline

iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline (PubChem CID 160760862) has the molecular formula C41H43IN2O4 and a molecular weight of 754.71 g/mol. Its IUPAC name is iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline.

Molecular Properties

Compound Nameiodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline
PubChem CID160760862
Molecular FormulaC41H43IN2O4
Molecular Weight754.71 g/mol
Exact Mass754.23
IUPAC Nameiodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline
SMILESC.COc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(Nc2ccc(OC)cc2)cc1.Ic1ccccc1
InChIInChI=1S/C20H19NO2.C14H15NO2.C6H5I.CH4/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18;1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;7-6-4-2-1-3-5-6;/h3-15H,1-2H3;3-10,15H,1-2H3;1-5H;1H4
InChIKeyRYAXAMUFDXLTRJ-UHFFFAOYSA-N
XLogP11.55
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.71
LogP ≤ 511.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;ethane
CID 145125987
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline
CID 18996812
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463

Frequently Asked Questions

What is the IUPAC name of iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline?
The IUPAC name of iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline (CID 160760862) is iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline.
What is the SMILES notation for iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline?
The canonical SMILES for iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline is C.COc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(Nc2ccc(OC)cc2)cc1.Ic1ccccc1.
What is the InChIKey of iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline?
The InChIKey is RYAXAMUFDXLTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2.C14H15NO2.C6H5I.CH4/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18;1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;7-6-4-2-1-3-5-6;/h3-15H,1-2H3;3-10,15H,1-2H3;1-5H;1H4.
What are the key properties of iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline?
iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline has a molecular weight of 754.71 g/mol, XLogP of 11.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iodobenzene;methane;4-methoxy-N-(4-methoxyphenyl)aniline;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline is sourced from PubChem (CID 160760862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).