2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol

C36H29N3O — CID 164742080

IUPAC2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol
SMILESCC(c1ccccc1)c1ccc(N(c2cccc(-c3cccc(-c4ccccc4O)n3)c2)c2ccccn2)cc1
InChIInChI=1S/C36H29N3O/c1-26(27-11-3-2-4-12-27)28-20-22-30(23-21-28)39(36-19-7-8-24-37-36)31-14-9-13-29(25-31)33-16-10-17-34(38-33)32-15-5-6-18-35(32)40/h2-26,40H,1H3
InChIKeySEXKPZXQHZUGII-UHFFFAOYSA-N
MW519.65 g/mol
LogP9.14
Rot. Bonds7

About 2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol

2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol (PubChem CID 164742080) has the molecular formula C36H29N3O and a molecular weight of 519.65 g/mol. Its IUPAC name is 2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol
PubChem CID164742080
Molecular FormulaC36H29N3O
Molecular Weight519.65 g/mol
Exact Mass519.23
IUPAC Name2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol
SMILESCC(c1ccccc1)c1ccc(N(c2cccc(-c3cccc(-c4ccccc4O)n3)c2)c2ccccn2)cc1
InChIInChI=1S/C36H29N3O/c1-26(27-11-3-2-4-12-27)28-20-22-30(23-21-28)39(36-19-7-8-24-37-36)31-14-9-13-29(25-31)33-16-10-17-34(38-33)32-15-5-6-18-35(32)40/h2-26,40H,1H3
InChIKeySEXKPZXQHZUGII-UHFFFAOYSA-N
XLogP9.14
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 59.14
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
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol
CID 153304154
2-[6-[3-tert-butyl-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]phenol;platinum
CID 164742406
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
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-di(propan-2-yl)-6-[2-[3-(N-pyridin-2-ylanilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154590089
ethane;N-(3-fluoranthen-8-ylphenyl)-N-phenylpyridin-2-amine
CID 144605066
2-[6-[3-tert-butyl-5-(N-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]anilino)phenyl]-4-(4-fluorophenyl)-2-pyridinyl]phenol
CID 164742034
2-[6-[3-[anthracen-9-yl(pyridin-2-yl)amino]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 136600920
2-[4-(3,5-ditert-butylphenyl)-6-[3-(N-[4-(dimethylamino)-2-pyridinyl]anilino)phenyl]-2-pyridinyl]phenol
CID 136600908
2-[6-[3-(2-phenylpropan-2-yl)-5-(N-pyridin-2-ylanilino)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742111

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol?
The IUPAC name of 2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol (CID 164742080) is 2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol is CC(c1ccccc1)c1ccc(N(c2cccc(-c3cccc(-c4ccccc4O)n3)c2)c2ccccn2)cc1.
What is the InChIKey of 2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol?
The InChIKey is SEXKPZXQHZUGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N3O/c1-26(27-11-3-2-4-12-27)28-20-22-30(23-21-28)39(36-19-7-8-24-37-36)31-14-9-13-29(25-31)33-16-10-17-34(38-33)32-15-5-6-18-35(32)40/h2-26,40H,1H3.
What are the key properties of 2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol?
2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol has a molecular weight of 519.65 g/mol, XLogP of 9.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 164742080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).