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

C46H34N4O — CID 155627571

IUPAC2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(N(c2ccccc2)c2ccccc2)cc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccccn3)c2)n1
InChIInChI=1S/C46H34N4O/c51-45-27-11-10-26-42(45)44-33-41(49(37-20-6-2-7-21-37)38-22-8-3-9-23-38)32-43(48-44)36-19-15-25-40(31-36)50(46-28-12-13-29-47-46)39-24-14-18-35(30-39)34-16-4-1-5-17-34/h1-33,51H
InChIKeyYVMFSJSEXFTOEC-UHFFFAOYSA-N
MW658.81 g/mol
LogP12.12
Rot. Bonds9

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

2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol (PubChem CID 155627571) has the molecular formula C46H34N4O and a molecular weight of 658.81 g/mol. Its IUPAC name is 2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
PubChem CID155627571
Molecular FormulaC46H34N4O
Molecular Weight658.81 g/mol
Exact Mass658.27
IUPAC Name2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(N(c2ccccc2)c2ccccc2)cc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccccn3)c2)n1
InChIInChI=1S/C46H34N4O/c51-45-27-11-10-26-42(45)44-33-41(49(37-20-6-2-7-21-37)38-22-8-3-9-23-38)32-43(48-44)36-19-15-25-40(31-36)50(46-28-12-13-29-47-46)39-24-14-18-35(30-39)34-16-4-1-5-17-34/h1-33,51H
InChIKeyYVMFSJSEXFTOEC-UHFFFAOYSA-N
XLogP12.12
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.81
LogP ≤ 512.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[3-(2,6-dimethyl-N-pyridin-2-ylanilino)phenyl]-4-phenyl-2-pyridinyl]phenol
CID 153304154
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-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol
CID 164742080
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
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
N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline
CID 140587043
2-[4-tert-butyl-6-[3-tert-butyl-5-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol
CID 164742517
ethane;N-(3-fluoranthen-8-ylphenyl)-N-phenylpyridin-2-amine
CID 144605066
N-[3-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-1H-indazol-7-yl)-2-pyridinyl]phenyl]-N-phenylpyridin-2-amine
CID 140854118
2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627613
2-[6-[3-tert-butyl-5-(N-[4-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenol
CID 164742880

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol?
The IUPAC name of 2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol (CID 155627571) is 2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol is Oc1ccccc1-c1cc(N(c2ccccc2)c2ccccc2)cc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3ccccn3)c2)n1.
What is the InChIKey of 2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol?
The InChIKey is YVMFSJSEXFTOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4O/c51-45-27-11-10-26-42(45)44-33-41(49(37-20-6-2-7-21-37)38-22-8-3-9-23-38)32-43(48-44)36-19-15-25-40(31-36)50(46-28-12-13-29-47-46)39-24-14-18-35(30-39)34-16-4-1-5-17-34/h1-33,51H.
What are the key properties of 2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol?
2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol has a molecular weight of 658.81 g/mol, XLogP of 12.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 155627571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).