3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol

C48H35NO2 — CID 176858207

IUPAC3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol
SMILESOc1cc(Oc2ccc(-c3ccccc3)cc2)cc(N(c2ccc(-c3ccccc3)cc2)c2c(-c3ccccc3)cccc2-c2ccccc2)c1
InChIInChI=1S/C48H35NO2/c50-43-32-42(33-45(34-43)51-44-30-26-38(27-31-44)36-16-7-2-8-17-36)49(41-28-24-37(25-29-41)35-14-5-1-6-15-35)48-46(39-18-9-3-10-19-39)22-13-23-47(48)40-20-11-4-12-21-40/h1-34,50H
InChIKeyAFOHCVYEKPVZTF-UHFFFAOYSA-N
MW657.81 g/mol
LogP13.32
Rot. Bonds9

About 3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol

3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol (PubChem CID 176858207) has the molecular formula C48H35NO2 and a molecular weight of 657.81 g/mol. Its IUPAC name is 3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol.

Molecular Properties

Compound Name3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol
PubChem CID176858207
Molecular FormulaC48H35NO2
Molecular Weight657.81 g/mol
Exact Mass657.27
IUPAC Name3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol
SMILESOc1cc(Oc2ccc(-c3ccccc3)cc2)cc(N(c2ccc(-c3ccccc3)cc2)c2c(-c3ccccc3)cccc2-c2ccccc2)c1
InChIInChI=1S/C48H35NO2/c50-43-32-42(33-45(34-43)51-44-30-26-38(27-31-44)36-16-7-2-8-17-36)49(41-28-24-37(25-29-41)35-14-5-1-6-15-35)48-46(39-18-9-3-10-19-39)22-13-23-47(48)40-20-11-4-12-21-40/h1-34,50H
InChIKeyAFOHCVYEKPVZTF-UHFFFAOYSA-N
XLogP13.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.81
LogP ≤ 513.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 164813761
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
3-[3-tert-butyl-5-(3-chlorophenoxy)-N-(2,6-diphenylphenyl)anilino]phenol
CID 176828409
2,4,6-triphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(2,4,6-triphenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132240
N-[4-(4-methylphenyl)phenyl]-N-phenyl-3-[4-(N-phenylanilino)phenoxy]aniline
CID 71009566
N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254099
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
[3-tert-butyl-5-(N-(2,6-diphenylphenyl)-4-phenylanilino)phenyl]-phenylmethanone
CID 169076927
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
N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenoxy]phenyl]-3-tritioaniline
CID 59196824
3,5-diphenoxy-N,N-diphenylaniline
CID 158962448
N-(3-bromo-5-tert-butylphenyl)-N-[4-(3,5-ditert-butylphenyl)phenyl]-2,6-diphenylaniline
CID 171607316

Frequently Asked Questions

What is the IUPAC name of 3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol?
The IUPAC name of 3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol (CID 176858207) is 3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol.
What is the SMILES notation for 3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol?
The canonical SMILES for 3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol is Oc1cc(Oc2ccc(-c3ccccc3)cc2)cc(N(c2ccc(-c3ccccc3)cc2)c2c(-c3ccccc3)cccc2-c2ccccc2)c1.
What is the InChIKey of 3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol?
The InChIKey is AFOHCVYEKPVZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NO2/c50-43-32-42(33-45(34-43)51-44-30-26-38(27-31-44)36-16-7-2-8-17-36)49(41-28-24-37(25-29-41)35-14-5-1-6-15-35)48-46(39-18-9-3-10-19-39)22-13-23-47(48)40-20-11-4-12-21-40/h1-34,50H.
What are the key properties of 3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol?
3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol has a molecular weight of 657.81 g/mol, XLogP of 13.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(2,6-diphenylphenyl)-4-phenylanilino)-5-(4-phenylphenoxy)phenol is sourced from PubChem (CID 176858207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).