5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline

C43H34N2O — CID 142449372

IUPAC5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline
SMILESCOc1ccccc1-c1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3)c(Nc3ccc(C)cc3)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C43H34N2O/c1-30-17-24-37(25-18-30)44-41-27-35(23-26-38(41)33-21-19-32(20-22-33)31-11-5-3-6-12-31)36-28-40(34-13-7-4-8-14-34)45-42(29-36)39-15-9-10-16-43(39)46-2/h3-29,44H,1-2H3
InChIKeyYYIHEHVEGBSHFX-UHFFFAOYSA-N
MW594.76 g/mol
LogP11.48
Rot. Bonds8

About 5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline

5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline (PubChem CID 142449372) has the molecular formula C43H34N2O and a molecular weight of 594.76 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline
PubChem CID142449372
Molecular FormulaC43H34N2O
Molecular Weight594.76 g/mol
Exact Mass594.27
IUPAC Name5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline
SMILESCOc1ccccc1-c1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3)c(Nc3ccc(C)cc3)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C43H34N2O/c1-30-17-24-37(25-18-30)44-41-27-35(23-26-38(41)33-21-19-32(20-22-33)31-11-5-3-6-12-31)36-28-40(34-13-7-4-8-14-34)45-42(29-36)39-15-9-10-16-43(39)46-2/h3-29,44H,1-2H3
InChIKeyYYIHEHVEGBSHFX-UHFFFAOYSA-N
XLogP11.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 511.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 146337191
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine
CID 157181890
2-(4,6-diphenyl-2-pyridinyl)-6-[3-(4-methylphenyl)phenyl]-4-phenylpyridine
CID 143267281
5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline
CID 18332092
N-(2,5-diphenylphenyl)naphthalen-1-amine
CID 174398533
2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine
CID 170419820
2-(2-methoxyphenyl)-6-(6-phenyl-2-pyridinyl)pyridine
CID 23135803
4-[3,5-bis(3-methylphenyl)phenyl]-2,6-diphenylpyridine;4-[3-(3-methylphenyl)-5-(4-methylphenyl)phenyl]-2,6-diphenylpyridine
CID 91503423
1-N,4-N-dimethyl-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
CID 71075915
8-methoxy-N,2-diphenylquinolin-4-amine
CID 91032667
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline?
The IUPAC name of 5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline (CID 142449372) is 5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline?
The canonical SMILES for 5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline is COc1ccccc1-c1cc(-c2ccc(-c3ccc(-c4ccccc4)cc3)c(Nc3ccc(C)cc3)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline?
The InChIKey is YYIHEHVEGBSHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2O/c1-30-17-24-37(25-18-30)44-41-27-35(23-26-38(41)33-21-19-32(20-22-33)31-11-5-3-6-12-31)36-28-40(34-13-7-4-8-14-34)45-42(29-36)39-15-9-10-16-43(39)46-2/h3-29,44H,1-2H3.
What are the key properties of 5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline?
5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline has a molecular weight of 594.76 g/mol, XLogP of 11.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 142449372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).