2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline

C37H31N3 — CID 140758620

IUPAC2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline
SMILESCc1cc(C)c(N(c2cccc(-c3ccccn3)c2)c2cc(-c3ccccc3)cc(-c3ccccn3)c2)c(C)c1
InChIInChI=1S/C37H31N3/c1-26-20-27(2)37(28(3)21-26)40(33-15-11-14-30(23-33)35-16-7-9-18-38-35)34-24-31(29-12-5-4-6-13-29)22-32(25-34)36-17-8-10-19-39-36/h4-25H,1-3H3
InChIKeyNMKVERYNEOCXLZ-UHFFFAOYSA-N
MW517.68 g/mol
LogP9.87
Rot. Bonds6

About 2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline

2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline (PubChem CID 140758620) has the molecular formula C37H31N3 and a molecular weight of 517.68 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline
PubChem CID140758620
Molecular FormulaC37H31N3
Molecular Weight517.68 g/mol
Exact Mass517.25
IUPAC Name2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline
SMILESCc1cc(C)c(N(c2cccc(-c3ccccn3)c2)c2cc(-c3ccccc3)cc(-c3ccccn3)c2)c(C)c1
InChIInChI=1S/C37H31N3/c1-26-20-27(2)37(28(3)21-26)40(33-15-11-14-30(23-33)35-16-7-9-18-38-35)34-24-31(29-12-5-4-6-13-29)22-32(25-34)36-17-8-10-19-39-36/h4-25H,1-3H3
InChIKeyNMKVERYNEOCXLZ-UHFFFAOYSA-N
XLogP9.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.68
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline
CID 140587043
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline
CID 140908798
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline
CID 140908469
5-methyl-1-N,3-N-bis(4-phenylphenyl)-1-N,3-N-bis(2,4,6-trimethylphenyl)benzene-1,3-diamine
CID 118415243
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-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline?
The IUPAC name of 2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline (CID 140758620) is 2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline?
The canonical SMILES for 2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline is Cc1cc(C)c(N(c2cccc(-c3ccccn3)c2)c2cc(-c3ccccc3)cc(-c3ccccn3)c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline?
The InChIKey is NMKVERYNEOCXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N3/c1-26-20-27(2)37(28(3)21-26)40(33-15-11-14-30(23-33)35-16-7-9-18-38-35)34-24-31(29-12-5-4-6-13-29)22-32(25-34)36-17-8-10-19-39-36/h4-25H,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline?
2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline has a molecular weight of 517.68 g/mol, XLogP of 9.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline is sourced from PubChem (CID 140758620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).