N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine

C38H29F3N8 — CID 58621531

IUPACN-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine
SMILESCC(c1cccc(-c2n[nH]c(C(F)(F)F)n2)n1)(c1cccc(N(c2ccccc2)c2ccccn2)n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H29F3N8/c1-37(49(28-17-7-3-8-18-28)29-19-9-4-10-20-29,31-22-13-21-30(43-31)35-45-36(47-46-35)38(39,40)41)32-23-14-25-34(44-32)48(27-15-5-2-6-16-27)33-24-11-12-26-42-33/h2-26H,1H3,(H,45,46,47)
InChIKeyAAKBNEVUSBMUDD-UHFFFAOYSA-N
MW654.70 g/mol
LogP9.25
Rot. Bonds9

About N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine

N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 58621531) has the molecular formula C38H29F3N8 and a molecular weight of 654.70 g/mol. Its IUPAC name is N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID58621531
Molecular FormulaC38H29F3N8
Molecular Weight654.70 g/mol
Exact Mass654.25
IUPAC NameN-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine
SMILESCC(c1cccc(-c2n[nH]c(C(F)(F)F)n2)n1)(c1cccc(N(c2ccccc2)c2ccccn2)n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H29F3N8/c1-37(49(28-17-7-3-8-18-28)29-19-9-4-10-20-29,31-22-13-21-30(43-31)35-45-36(47-46-35)38(39,40)41)32-23-14-25-34(44-32)48(27-15-5-2-6-16-27)33-24-11-12-26-42-33/h2-26H,1H3,(H,45,46,47)
InChIKeyAAKBNEVUSBMUDD-UHFFFAOYSA-N
XLogP9.25
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.70
LogP ≤ 59.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 167843343
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
N-[4-[[4-(dipyridin-2-ylamino)phenyl]-dimethylsilyl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 101222424
2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine
CID 153425457
bis(2-(2,4-difluorophenyl)pyridine);indium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 159112351
2-pyridin-2-yl-6-(trifluoromethyl)pyridine
CID 72771068
N,N-bis(4-tert-butylphenyl)pyridin-2-amine
CID 170994719
2-phenyl-6-(2-pyridin-2-ylpropan-2-yl)pyridine
CID 58752837
2-(6-tert-butyl-2-pyridinyl)pyrimidine
CID 166590913
platinum;2-[4-[6-(N-pyridin-2-ylanilino)-2-pyridinyl]-3H-pyridin-3-id-2-yl]phenol
CID 153280501
3-(3-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 167938781
6-[diphenyl-[3-(N-pyridin-2-ylanilino)phenyl]silyl]-N,N-diphenylpyridin-2-amine
CID 140743228

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine (CID 58621531) is N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine is CC(c1cccc(-c2n[nH]c(C(F)(F)F)n2)n1)(c1cccc(N(c2ccccc2)c2ccccn2)n1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is AAKBNEVUSBMUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29F3N8/c1-37(49(28-17-7-3-8-18-28)29-19-9-4-10-20-29,31-22-13-21-30(43-31)35-45-36(47-46-35)38(39,40)41)32-23-14-25-34(44-32)48(27-15-5-2-6-16-27)33-24-11-12-26-42-33/h2-26H,1H3,(H,45,46,47).
What are the key properties of N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine?
N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 654.70 g/mol, XLogP of 9.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-[1-(N-phenylanilino)-1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]ethyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 58621531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).