N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline

C43H34N2O — CID 146337191

IUPACN-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline
SMILESCOc1ccccc1-c1cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C43H34N2O/c1-31-17-25-38(26-18-31)45(37-13-7-4-8-14-37)39-27-23-33(24-28-39)32-19-21-34(22-20-32)36-29-41(35-11-5-3-6-12-35)44-42(30-36)40-15-9-10-16-43(40)46-2/h3-30H,1-2H3
InChIKeyUONOZMKUPVDJJL-UHFFFAOYSA-N
MW594.76 g/mol
LogP11.54
Rot. Bonds8

About N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline

N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline (PubChem CID 146337191) has the molecular formula C43H34N2O and a molecular weight of 594.76 g/mol. Its IUPAC name is N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline
PubChem CID146337191
Molecular FormulaC43H34N2O
Molecular Weight594.76 g/mol
Exact Mass594.27
IUPAC NameN-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline
SMILESCOc1ccccc1-c1cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C43H34N2O/c1-31-17-25-38(26-18-31)45(37-13-7-4-8-14-37)39-27-23-33(24-28-39)32-19-21-34(22-20-32)36-29-41(35-11-5-3-6-12-35)44-42(30-36)40-15-9-10-16-43(40)46-2/h3-30H,1-2H3
InChIKeyUONOZMKUPVDJJL-UHFFFAOYSA-N
XLogP11.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline
CID 142449372
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
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine
CID 170419820
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
2-(2-methoxyphenyl)-6-(6-phenyl-2-pyridinyl)pyridine
CID 23135803
4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline?
The IUPAC name of N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline (CID 146337191) is N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline.
What is the SMILES notation for N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline?
The canonical SMILES for N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline is COc1ccccc1-c1cc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline?
The InChIKey is UONOZMKUPVDJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2O/c1-31-17-25-38(26-18-31)45(37-13-7-4-8-14-37)39-27-23-33(24-28-39)32-19-21-34(22-20-32)36-29-41(35-11-5-3-6-12-35)44-42(30-36)40-15-9-10-16-43(40)46-2/h3-30H,1-2H3.
What are the key properties of N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline?
N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline has a molecular weight of 594.76 g/mol, XLogP of 11.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline is sourced from PubChem (CID 146337191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).