2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol

C46H33N3O3 — CID 155627613

IUPAC2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(Oc2ccccc2)c(Oc2ccccc2)c(-c2cccc(N(c3ccccn3)c3ccccc3-c3ccccc3)c2)n1
InChIInChI=1S/C46H33N3O3/c50-42-28-13-11-26-39(42)40-32-43(51-36-21-6-2-7-22-36)46(52-37-23-8-3-9-24-37)45(48-40)34-19-16-20-35(31-34)49(44-29-14-15-30-47-44)41-27-12-10-25-38(41)33-17-4-1-5-18-33/h1-32,50H
InChIKeyAHSSJTKGGQVJID-UHFFFAOYSA-N
MW675.79 g/mol
LogP12.24
Rot. Bonds10

About 2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol

2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol (PubChem CID 155627613) has the molecular formula C46H33N3O3 and a molecular weight of 675.79 g/mol. Its IUPAC name is 2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
PubChem CID155627613
Molecular FormulaC46H33N3O3
Molecular Weight675.79 g/mol
Exact Mass675.25
IUPAC Name2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(Oc2ccccc2)c(Oc2ccccc2)c(-c2cccc(N(c3ccccn3)c3ccccc3-c3ccccc3)c2)n1
InChIInChI=1S/C46H33N3O3/c50-42-28-13-11-26-39(42)40-32-43(51-36-21-6-2-7-22-36)46(52-37-23-8-3-9-24-37)45(48-40)34-19-16-20-35(31-34)49(44-29-14-15-30-47-44)41-27-12-10-25-38(41)33-17-4-1-5-18-33/h1-32,50H
InChIKeyAHSSJTKGGQVJID-UHFFFAOYSA-N
XLogP12.24
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 512.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol
CID 155627594
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153280278
2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627571
2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol
CID 153304154
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140873721
2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol
CID 153280522
2-[4-(3,5-ditert-butylphenyl)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159267999
2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol
CID 164742080
2-[6-[3-[anthracen-9-yl(pyridin-2-yl)amino]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 136600920
2-[4-[3-[(9,9-dimethylfluoren-4-yl)-pyridin-2-ylamino]phenyl]-1,3-benzothiazol-2-yl]phenol
CID 140902821
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 153304170

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol?
The IUPAC name of 2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol (CID 155627613) is 2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol is Oc1ccccc1-c1cc(Oc2ccccc2)c(Oc2ccccc2)c(-c2cccc(N(c3ccccn3)c3ccccc3-c3ccccc3)c2)n1.
What is the InChIKey of 2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol?
The InChIKey is AHSSJTKGGQVJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3O3/c50-42-28-13-11-26-39(42)40-32-43(51-36-21-6-2-7-22-36)46(52-37-23-8-3-9-24-37)45(48-40)34-19-16-20-35(31-34)49(44-29-14-15-30-47-44)41-27-12-10-25-38(41)33-17-4-1-5-18-33/h1-32,50H.
What are the key properties of 2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol?
2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol has a molecular weight of 675.79 g/mol, XLogP of 12.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 155627613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).