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

C36H29N3O — CID 153304154

IUPAC2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol
SMILESCc1cccc(C)c1N(c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3O)n2)c1)c1ccccn1
InChIInChI=1S/C36H29N3O/c1-25-12-10-13-26(2)36(25)39(35-20-8-9-21-37-35)30-17-11-16-28(22-30)32-23-29(27-14-4-3-5-15-27)24-33(38-32)31-18-6-7-19-34(31)40/h3-24,40H,1-2H3
InChIKeyWBSHTJSSTKSDCY-UHFFFAOYSA-N
MW519.65 g/mol
LogP9.27
Rot. Bonds6

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

2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol (PubChem CID 153304154) has the molecular formula C36H29N3O and a molecular weight of 519.65 g/mol. Its IUPAC name is 2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol
PubChem CID153304154
Molecular FormulaC36H29N3O
Molecular Weight519.65 g/mol
Exact Mass519.23
IUPAC Name2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol
SMILESCc1cccc(C)c1N(c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3O)n2)c1)c1ccccn1
InChIInChI=1S/C36H29N3O/c1-25-12-10-13-26(2)36(25)39(35-20-8-9-21-37-35)30-17-11-16-28(22-30)32-23-29(27-14-4-3-5-15-27)24-33(38-32)31-18-6-7-19-34(31)40/h3-24,40H,1-2H3
InChIKeyWBSHTJSSTKSDCY-UHFFFAOYSA-N
XLogP9.27
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 59.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627571
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-[6-[3-[anthracen-9-yl(pyridin-2-yl)amino]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 136600920
2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol
CID 164742080
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-[3-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-[1]benzofuro[2,3-c]pyridin-1-yl]phenol
CID 140874002
2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-[4-(dimethylamino)-2-pyridinyl]anilino)phenyl]-2-pyridinyl]phenol
CID 136600908
2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 164742031
N-[3-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-1H-indazol-7-yl)-2-pyridinyl]phenyl]-N-phenylpyridin-2-amine
CID 140854118
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
CID 153304016
2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline
CID 140758620

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol?
The IUPAC name of 2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol (CID 153304154) is 2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol is Cc1cccc(C)c1N(c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3O)n2)c1)c1ccccn1.
What is the InChIKey of 2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol?
The InChIKey is WBSHTJSSTKSDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N3O/c1-25-12-10-13-26(2)36(25)39(35-20-8-9-21-37-35)30-17-11-16-28(22-30)32-23-29(27-14-4-3-5-15-27)24-33(38-32)31-18-6-7-19-34(31)40/h3-24,40H,1-2H3.
What are the key properties of 2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol?
2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol has a molecular weight of 519.65 g/mol, XLogP of 9.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol is sourced from PubChem (CID 153304154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).