N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine

C22H15NO4 — CID 172876431

IUPACN-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine
SMILESC1=COc2cc(N(c3ccccc3)c3ccc4c(c3)OC=CO4)ccc2O1
InChIInChI=1S/C22H15NO4/c1-2-4-16(5-3-1)23(17-6-8-19-21(14-17)26-12-10-24-19)18-7-9-20-22(15-18)27-13-11-25-20/h1-15H
InChIKeyLOKDULSIFZMVFM-UHFFFAOYSA-N
MW357.37 g/mol
LogP5.64
Rot. Bonds3

About N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine

N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine (PubChem CID 172876431) has the molecular formula C22H15NO4 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine
PubChem CID172876431
Molecular FormulaC22H15NO4
Molecular Weight357.37 g/mol
Exact Mass357.10
IUPAC NameN-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine
SMILESC1=COc2cc(N(c3ccccc3)c3ccc4c(c3)OC=CO4)ccc2O1
InChIInChI=1S/C22H15NO4/c1-2-4-16(5-3-1)23(17-6-8-19-21(14-17)26-12-10-24-19)18-7-9-20-22(15-18)27-13-11-25-20/h1-15H
InChIKeyLOKDULSIFZMVFM-UHFFFAOYSA-N
XLogP5.64
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.37
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
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
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-N,3-N,7-N,7-N-tetraphenyl-10H-phenoxazine-3,7-diamine
CID 118518276
N,N-diphenylaniline;silane
CID 131739129
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N,N-diphenylaniline;ethene
CID 135186601

Frequently Asked Questions

What is the IUPAC name of N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine?
The IUPAC name of N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine (CID 172876431) is N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine is C1=COc2cc(N(c3ccccc3)c3ccc4c(c3)OC=CO4)ccc2O1.
What is the InChIKey of N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine?
The InChIKey is LOKDULSIFZMVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO4/c1-2-4-16(5-3-1)23(17-6-8-19-21(14-17)26-12-10-24-19)18-7-9-20-22(15-18)27-13-11-25-20/h1-15H.
What are the key properties of N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine?
N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine has a molecular weight of 357.37 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-benzodioxin-6-yl)-N-phenyl-1,4-benzodioxin-6-amine is sourced from PubChem (CID 172876431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).