4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline

C38H32N2O2S — CID 18996812

IUPAC4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline
SMILESCOc1ccc(N(c2ccccc2)c2ccc(Sc3ccc(N(c4ccccc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H32N2O2S/c1-41-35-21-13-31(14-22-35)39(29-9-5-3-6-10-29)33-17-25-37(26-18-33)43-38-27-19-34(20-28-38)40(30-11-7-4-8-12-30)32-15-23-36(42-2)24-16-32/h3-28H,1-2H3
InChIKeyJEMZIUKCSOBWQG-UHFFFAOYSA-N
MW580.75 g/mol
LogP10.79
Rot. Bonds10

About 4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline

4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline (PubChem CID 18996812) has the molecular formula C38H32N2O2S and a molecular weight of 580.75 g/mol. Its IUPAC name is 4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline
PubChem CID18996812
Molecular FormulaC38H32N2O2S
Molecular Weight580.75 g/mol
Exact Mass580.22
IUPAC Name4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline
SMILESCOc1ccc(N(c2ccccc2)c2ccc(Sc3ccc(N(c4ccccc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H32N2O2S/c1-41-35-21-13-31(14-22-35)39(29-9-5-3-6-10-29)33-17-25-37(26-18-33)43-38-27-19-34(20-28-38)40(30-11-7-4-8-12-30)32-15-23-36(42-2)24-16-32/h3-28H,1-2H3
InChIKeyJEMZIUKCSOBWQG-UHFFFAOYSA-N
XLogP10.79
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.75
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[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
3-[3-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]sulfanyl-N,N-bis(4-methoxyphenyl)aniline
CID 18996734
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)-N-phenylnaphthalen-2-amine
CID 15905236
4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
1-methoxy-4-phenylsulfanyloxysulfanylbenzene
CID 57195769
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
6-N,16-N-bis(4-methoxyphenyl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032295
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline?
The IUPAC name of 4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline (CID 18996812) is 4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline.
What is the SMILES notation for 4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline?
The canonical SMILES for 4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline is COc1ccc(N(c2ccccc2)c2ccc(Sc3ccc(N(c4ccccc4)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline?
The InChIKey is JEMZIUKCSOBWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O2S/c1-41-35-21-13-31(14-22-35)39(29-9-5-3-6-10-29)33-17-25-37(26-18-33)43-38-27-19-34(20-28-38)40(30-11-7-4-8-12-30)32-15-23-36(42-2)24-16-32/h3-28H,1-2H3.
What are the key properties of 4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline?
4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline has a molecular weight of 580.75 g/mol, XLogP of 10.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline is sourced from PubChem (CID 18996812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).