N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline

C65H49F6N3 — CID 158924747

IUPACN,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline
SMILESCC(c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C(C)(c4ccc(N(c5ccccc5)c5ccccc5)cc4)C(F)(F)F)cc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C65H49F6N3/c1-62(64(66,67)68,52-36-40-58(41-37-52)73(54-20-10-4-11-21-54)55-22-12-5-13-23-55)50-32-28-47(29-33-50)60-44-49(46-18-8-3-9-19-46)45-61(72-60)48-30-34-51(35-31-48)63(2,65(69,70)71)53-38-42-59(43-39-53)74(56-24-14-6-15-25-56)57-26-16-7-17-27-57/h3-45H,1-2H3
InChIKeyJIHHADJTIGADTN-UHFFFAOYSA-N
MW986.12 g/mol
LogP18.76
Rot. Bonds13

About N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline

N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline (PubChem CID 158924747) has the molecular formula C65H49F6N3 and a molecular weight of 986.12 g/mol. Its IUPAC name is N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline
PubChem CID158924747
Molecular FormulaC65H49F6N3
Molecular Weight986.12 g/mol
Exact Mass985.38
IUPAC NameN,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline
SMILESCC(c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C(C)(c4ccc(N(c5ccccc5)c5ccccc5)cc4)C(F)(F)F)cc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C65H49F6N3/c1-62(64(66,67)68,52-36-40-58(41-37-52)73(54-20-10-4-11-21-54)55-22-12-5-13-23-55)50-32-28-47(29-33-50)60-44-49(46-18-8-3-9-19-46)45-61(72-60)48-30-34-51(35-31-48)63(2,65(69,70)71)53-38-42-59(43-39-53)74(56-24-14-6-15-25-56)57-26-16-7-17-27-57/h3-45H,1-2H3
InChIKeyJIHHADJTIGADTN-UHFFFAOYSA-N
XLogP18.76
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.12
LogP ≤ 518.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline with MolForge

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Related Compounds

Benzenamine, 4-(2,6-diphenyl-4-pyridinyl)-N,N-dimethyl-
CID 93126
2,4,6-Tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate
CID 12627143
2-(4-Methylphenyl)-1,4,6-triphenylpyridin-1-ium perchlorate
CID 12627144
2,4,6-Tris(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyridin-1-ium perchlorate
CID 12647563
1-Methyl-2,6-bis[2-(4-phenylphenyl)ethynyl]pyridin-1-ium
CID 71606232
1-Methyl-2,6-bis[2-(4-phenylphenyl)ethyl]pyridin-1-ium
CID 122181622
4-(Difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline
CID 162649846
1,2,4,6-Tetraphenylpyridin-1-ium
CID 3124420
1,2,4,6-Tetraphenylpyridinium tetrafluoroborate
CID 12665546
4-[(E)-2-[1-methyl-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridin-1-ium-2-yl]ethenyl]-N,N-diphenylaniline iodide
CID 56969707
[4-(4-Fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-lambda5-phosphane
CID 132574433
4-(4-Fluorophenyl)-2,6-diphenylpyridine
CID 629756

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline (CID 158924747) is N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline is CC(c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C(C)(c4ccc(N(c5ccccc5)c5ccccc5)cc4)C(F)(F)F)cc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline?
The InChIKey is JIHHADJTIGADTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H49F6N3/c1-62(64(66,67)68,52-36-40-58(41-37-52)73(54-20-10-4-11-21-54)55-22-12-5-13-23-55)50-32-28-47(29-33-50)60-44-49(46-18-8-3-9-19-46)45-61(72-60)48-30-34-51(35-31-48)63(2,65(69,70)71)53-38-42-59(43-39-53)74(56-24-14-6-15-25-56)57-26-16-7-17-27-57/h3-45H,1-2H3.
What are the key properties of N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline?
N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline has a molecular weight of 986.12 g/mol, XLogP of 18.76, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-2-pyridinyl]phenyl]propan-2-yl]aniline is sourced from PubChem (CID 158924747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).