4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline

C45H46N2O6 — CID 139670226

IUPAC4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(OCC(C)(C)COc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C45H46N2O6/c1-45(2,31-52-43-27-15-37(16-28-43)46(33-7-19-39(48-3)20-8-33)34-9-21-40(49-4)22-10-34)32-53-44-29-17-38(18-30-44)47(35-11-23-41(50-5)24-12-35)36-13-25-42(51-6)26-14-36/h7-30H,31-32H2,1-6H3
InChIKeySSNBYVAEAZPFSB-UHFFFAOYSA-N
MW710.87 g/mol
LogP11.14
Rot. Bonds16

About 4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline

4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline (PubChem CID 139670226) has the molecular formula C45H46N2O6 and a molecular weight of 710.87 g/mol. Its IUPAC name is 4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline
PubChem CID139670226
Molecular FormulaC45H46N2O6
Molecular Weight710.87 g/mol
Exact Mass710.34
IUPAC Name4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(OCC(C)(C)COc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C45H46N2O6/c1-45(2,31-52-43-27-15-37(16-28-43)46(33-7-19-39(48-3)20-8-33)34-9-21-40(49-4)22-10-34)32-53-44-29-17-38(18-30-44)47(35-11-23-41(50-5)24-12-35)36-13-25-42(51-6)26-14-36/h7-30H,31-32H2,1-6H3
InChIKeySSNBYVAEAZPFSB-UHFFFAOYSA-N
XLogP11.14
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.87
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2,2-dimethylbutoxy)-4-methoxybenzene
CID 70980088
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 11031093
4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
CID 18349748
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline
CID 54107387
4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
CID 145450258
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline?
The IUPAC name of 4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline (CID 139670226) is 4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline?
The canonical SMILES for 4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(OCC(C)(C)COc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline?
The InChIKey is SSNBYVAEAZPFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N2O6/c1-45(2,31-52-43-27-15-37(16-28-43)46(33-7-19-39(48-3)20-8-33)34-9-21-40(49-4)22-10-34)32-53-44-29-17-38(18-30-44)47(35-11-23-41(50-5)24-12-35)36-13-25-42(51-6)26-14-36/h7-30H,31-32H2,1-6H3.
What are the key properties of 4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline?
4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline has a molecular weight of 710.87 g/mol, XLogP of 11.14, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 139670226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).