N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine

C36H24FNO2 — CID 126629758

IUPACN-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3O4)cc2)cc1
InChIInChI=1S/C36H24FNO2/c37-29-16-10-26(11-17-29)28-14-20-31(21-15-28)38(30-18-12-27(13-19-30)25-6-2-1-3-7-25)32-22-23-35-36(24-32)40-34-9-5-4-8-33(34)39-35/h1-24H
InChIKeyJAGGVZLZIMTELA-UHFFFAOYSA-N
MW521.59 g/mol
LogP10.53
Rot. Bonds5

About N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine

N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine (PubChem CID 126629758) has the molecular formula C36H24FNO2 and a molecular weight of 521.59 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine
PubChem CID126629758
Molecular FormulaC36H24FNO2
Molecular Weight521.59 g/mol
Exact Mass521.18
IUPAC NameN-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine
SMILESFc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3O4)cc2)cc1
InChIInChI=1S/C36H24FNO2/c37-29-16-10-26(11-17-29)28-14-20-31(21-15-28)38(30-18-12-27(13-19-30)25-6-2-1-3-7-25)32-22-23-35-36(24-32)40-34-9-5-4-8-33(34)39-35/h1-24H
InChIKeyJAGGVZLZIMTELA-UHFFFAOYSA-N
XLogP10.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.59
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-N,12-N-diphenyl-5-N,12-N-bis(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10(18),11,13,15-octaene-5,12-diamine
CID 166986850
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 126629727
8-N-dibenzo-p-dioxin-2-yl-8-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,8-diamine
CID 149231530
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine
CID 166986527
N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine
CID 166986775
N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-phenylphenyl)aniline;4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 158714904
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
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 N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine?
The IUPAC name of N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine (CID 126629758) is N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine.
What is the SMILES notation for N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine?
The canonical SMILES for N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine is Fc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3ccccc3O4)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine?
The InChIKey is JAGGVZLZIMTELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24FNO2/c37-29-16-10-26(11-17-29)28-14-20-31(21-15-28)38(30-18-12-27(13-19-30)25-6-2-1-3-7-25)32-22-23-35-36(24-32)40-34-9-5-4-8-33(34)39-35/h1-24H.
What are the key properties of N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine?
N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine has a molecular weight of 521.59 g/mol, XLogP of 10.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)phenyl]-N-(4-phenylphenyl)dibenzo-p-dioxin-2-amine is sourced from PubChem (CID 126629758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).