3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline

C48H34F3N3 — CID 157358943

IUPAC3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline
SMILESCc1cc(-c2cc(-c3ccccc3)ccn2)cc(N(c2cc(-c3cc(-c4ccccc4)ccn3)cc(C(F)(F)F)c2)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C48H34F3N3/c1-33-25-39(45-30-37(21-23-52-45)34-13-5-2-6-14-34)28-42(26-33)54(47-20-12-11-19-44(47)36-17-9-4-10-18-36)43-29-40(27-41(32-43)48(49,50)51)46-31-38(22-24-53-46)35-15-7-3-8-16-35/h2-32H,1H3
InChIKeyUKELLECTFOHSTJ-UHFFFAOYSA-N
MW709.82 g/mol
LogP13.61
Rot. Bonds8

About 3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline

3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline (PubChem CID 157358943) has the molecular formula C48H34F3N3 and a molecular weight of 709.82 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline
PubChem CID157358943
Molecular FormulaC48H34F3N3
Molecular Weight709.82 g/mol
Exact Mass709.27
IUPAC Name3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline
SMILESCc1cc(-c2cc(-c3ccccc3)ccn2)cc(N(c2cc(-c3cc(-c4ccccc4)ccn3)cc(C(F)(F)F)c2)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C48H34F3N3/c1-33-25-39(45-30-37(21-23-52-45)34-13-5-2-6-14-34)28-42(26-33)54(47-20-12-11-19-44(47)36-17-9-4-10-18-36)43-29-40(27-41(32-43)48(49,50)51)46-31-38(22-24-53-46)35-15-7-3-8-16-35/h2-32H,1H3
InChIKeyUKELLECTFOHSTJ-UHFFFAOYSA-N
XLogP13.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.82
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-Diphenyl-2,2'-bipyridine
CID 80259
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
2-[(Z)-(1-ethyl-7-methylquinolin-4(1H)-ylidene)methyl]-1-methylquinolinium
CID 16193144
N-methyl-1-[[4-[4-[[4-(N-methylanilino)quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-phenylquinolin-1-ium-4-amine dibromide
CID 11158640
N-methyl-1-[[3-[3-[[4-(N-methylanilino)quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-phenylquinolin-1-ium-4-amine dibromide
CID 11251384
1-[[3-[3-[(4-Amino-3-methylquinolin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-3-methylquinolin-1-ium-4-amine dibromide
CID 11388209
N-methyl-1-[[3-[3-[[4-(N-methylanilino)pyridin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-phenylpyridin-1-ium-4-amine dibromide
CID 11227850
1H-Indole-7-methanamine, 1-methyl-N-[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenyl]-
CID 45273258
2-methyl-5-(2-(pyridin-2-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54582940
2-methyl-5-(2-(pyridin-4-yl)ethyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54585847
5-((4-Methylpyridin-3-yl)methyl)-2-phenylpyridine
CID 57330085

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline (CID 157358943) is 3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline is Cc1cc(-c2cc(-c3ccccc3)ccn2)cc(N(c2cc(-c3cc(-c4ccccc4)ccn3)cc(C(F)(F)F)c2)c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline?
The InChIKey is UKELLECTFOHSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34F3N3/c1-33-25-39(45-30-37(21-23-52-45)34-13-5-2-6-14-34)28-42(26-33)54(47-20-12-11-19-44(47)36-17-9-4-10-18-36)43-29-40(27-41(32-43)48(49,50)51)46-31-38(22-24-53-46)35-15-7-3-8-16-35/h2-32H,1H3.
What are the key properties of 3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline?
3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline has a molecular weight of 709.82 g/mol, XLogP of 13.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylphenyl)-5-(4-phenyl-2-pyridinyl)-N-[3-(4-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 157358943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).