3,5-diphenoxy-N,N-diphenylaniline

C30H23NO2 — CID 158962448

IUPAC3,5-diphenoxy-N,N-diphenylaniline
SMILESc1ccc(Oc2cc(Oc3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C30H23NO2/c1-5-13-24(14-6-1)31(25-15-7-2-8-16-25)26-21-29(32-27-17-9-3-10-18-27)23-30(22-26)33-28-19-11-4-12-20-28/h1-23H
InChIKeyJMUDTBTVDRMMPP-UHFFFAOYSA-N
MW429.52 g/mol
LogP8.74
Rot. Bonds7

About 3,5-diphenoxy-N,N-diphenylaniline

3,5-diphenoxy-N,N-diphenylaniline (PubChem CID 158962448) has the molecular formula C30H23NO2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3,5-diphenoxy-N,N-diphenylaniline.

Molecular Properties

Compound Name3,5-diphenoxy-N,N-diphenylaniline
PubChem CID158962448
Molecular FormulaC30H23NO2
Molecular Weight429.52 g/mol
Exact Mass429.17
IUPAC Name3,5-diphenoxy-N,N-diphenylaniline
SMILESc1ccc(Oc2cc(Oc3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C30H23NO2/c1-5-13-24(14-6-1)31(25-15-7-2-8-16-25)26-21-29(32-27-17-9-3-10-18-27)23-30(22-26)33-28-19-11-4-12-20-28/h1-23H
InChIKeyJMUDTBTVDRMMPP-UHFFFAOYSA-N
XLogP8.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline
CID 163456030
N-[4-(4-methylphenyl)phenyl]-N-phenyl-3-[4-(N-phenylanilino)phenoxy]aniline
CID 71009566
3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592
4-N-[4-(4-amino-N-(4-phenoxyphenyl)anilino)phenyl]-4-N-(4-phenoxyphenyl)benzene-1,4-diamine
CID 89202314
2-chloro-1-N,3-N-bis(4-chloro-3,5-diphenoxyphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 166974470
5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 159873975
1-N,4-N-diphenyl-1-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-4-N-(3-tritiophenyl)benzene-1,4-diamine
CID 59197003
N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline
CID 59196878
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline
CID 156686634
N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]-4-tritioanilino)phenoxy]-N-(4-tritiophenyl)aniline;N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]-4-tritioanilino)phenyl]phenoxy]phenyl]phenyl]-4-tritioaniline;N-phenyl-3-tritio-N-[4-[4-(N-(3-tritiophenyl)anilino)phenoxy]phenyl]aniline;N-phenyl-3-tritio-N-[4-[4-(N-[4-[4-(N-(3-tritiophenyl)anilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline
CID 160846288

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenoxy-N,N-diphenylaniline?
The IUPAC name of 3,5-diphenoxy-N,N-diphenylaniline (CID 158962448) is 3,5-diphenoxy-N,N-diphenylaniline.
What is the SMILES notation for 3,5-diphenoxy-N,N-diphenylaniline?
The canonical SMILES for 3,5-diphenoxy-N,N-diphenylaniline is c1ccc(Oc2cc(Oc3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 3,5-diphenoxy-N,N-diphenylaniline?
The InChIKey is JMUDTBTVDRMMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO2/c1-5-13-24(14-6-1)31(25-15-7-2-8-16-25)26-21-29(32-27-17-9-3-10-18-27)23-30(22-26)33-28-19-11-4-12-20-28/h1-23H.
What are the key properties of 3,5-diphenoxy-N,N-diphenylaniline?
3,5-diphenoxy-N,N-diphenylaniline has a molecular weight of 429.52 g/mol, XLogP of 8.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenoxy-N,N-diphenylaniline is sourced from PubChem (CID 158962448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).