4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline

C25H23NO — CID 171968745

IUPAC4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
SMILESC1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC2CCC1O2
InChIInChI=1S/C25H23NO/c1-3-7-21(8-4-1)26(22-9-5-2-6-10-22)23-13-11-19(12-14-23)20-17-24-15-16-25(18-20)27-24/h1-14,17,24-25H,15-16,18H2
InChIKeyLAFGSHMDTOEOBF-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.49
Rot. Bonds4

About 4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline

4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline (PubChem CID 171968745) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
PubChem CID171968745
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
SMILESC1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC2CCC1O2
InChIInChI=1S/C25H23NO/c1-3-7-21(8-4-1)26(22-9-5-2-6-10-22)23-13-11-19(12-14-23)20-17-24-15-16-25(18-20)27-24/h1-14,17,24-25H,15-16,18H2
InChIKeyLAFGSHMDTOEOBF-UHFFFAOYSA-N
XLogP6.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-anthracen-9-yl-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973362
N-phenyl-4-(4-phenylcyclopenta-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 70847371
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604
3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171974798
4-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]non-2-en-3-yl)-N,N-diphenylaniline
CID 171967576
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-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of 4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline (CID 171968745) is 4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline is C1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC2CCC1O2.
What is the InChIKey of 4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline?
The InChIKey is LAFGSHMDTOEOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-3-7-21(8-4-1)26(22-9-5-2-6-10-22)23-13-11-19(12-14-23)20-17-24-15-16-25(18-20)27-24/h1-14,17,24-25H,15-16,18H2.
What are the key properties of 4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline?
4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline has a molecular weight of 353.47 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline is sourced from PubChem (CID 171968745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).