N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline

C49H39N3 — CID 118242687

IUPACN-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline
SMILESCc1ccccc1-c1cc(-c2ccc(-c3ccccn3)cc2)ccc1N(C)c1ccc(-c2ccc(-c3ccccn3)cc2)cc1-c1ccccc1C
InChIInChI=1S/C49H39N3/c1-34-12-4-6-14-42(34)44-32-40(36-18-22-38(23-19-36)46-16-8-10-30-50-46)26-28-48(44)52(3)49-29-27-41(33-45(49)43-15-7-5-13-35(43)2)37-20-24-39(25-21-37)47-17-9-11-31-51-47/h4-33H,1-3H3
InChIKeyPXQMXUCNJXZTGD-UHFFFAOYSA-N
MW669.87 g/mol
LogP12.86
Rot. Bonds8

About N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline

N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline (PubChem CID 118242687) has the molecular formula C49H39N3 and a molecular weight of 669.87 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline
PubChem CID118242687
Molecular FormulaC49H39N3
Molecular Weight669.87 g/mol
Exact Mass669.31
IUPAC NameN-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline
SMILESCc1ccccc1-c1cc(-c2ccc(-c3ccccn3)cc2)ccc1N(C)c1ccc(-c2ccc(-c3ccccn3)cc2)cc1-c1ccccc1C
InChIInChI=1S/C49H39N3/c1-34-12-4-6-14-42(34)44-32-40(36-18-22-38(23-19-36)46-16-8-10-30-50-46)26-28-48(44)52(3)49-29-27-41(33-45(49)43-15-7-5-13-35(43)2)37-20-24-39(25-21-37)47-17-9-11-31-51-47/h4-33H,1-3H3
InChIKeyPXQMXUCNJXZTGD-UHFFFAOYSA-N
XLogP12.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.87
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)pyridine
CID 144596153
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
2-(4-methylphenyl)pyridine;silver
CID 121395993
2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
CID 139298890
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
4,6-bis[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 134313268
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane
CID 171056391
2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
CID 134313361
2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine
CID 134268745

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline?
The IUPAC name of N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline (CID 118242687) is N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline?
The canonical SMILES for N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline is Cc1ccccc1-c1cc(-c2ccc(-c3ccccn3)cc2)ccc1N(C)c1ccc(-c2ccc(-c3ccccn3)cc2)cc1-c1ccccc1C.
What is the InChIKey of N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline?
The InChIKey is PXQMXUCNJXZTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39N3/c1-34-12-4-6-14-42(34)44-32-40(36-18-22-38(23-19-36)46-16-8-10-30-50-46)26-28-48(44)52(3)49-29-27-41(33-45(49)43-15-7-5-13-35(43)2)37-20-24-39(25-21-37)47-17-9-11-31-51-47/h4-33H,1-3H3.
What are the key properties of N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline?
N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline has a molecular weight of 669.87 g/mol, XLogP of 12.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline is sourced from PubChem (CID 118242687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).