N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine

C52H34F6N4O — CID 122659607

IUPACN-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c(C(F)(F)F)c3)o2)ccc1N(c1ccc(-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C52H34F6N4O/c53-51(54,55)45-31-39(19-25-47(45)61(43-13-7-29-59-33-43)41-21-15-37(16-22-41)35-9-3-1-4-10-35)49-27-28-50(63-49)40-20-26-48(46(32-40)52(56,57)58)62(44-14-8-30-60-34-44)42-23-17-38(18-24-42)36-11-5-2-6-12-36/h1-34H
InChIKeyGBADSJIQRMUYLG-UHFFFAOYSA-N
MW844.86 g/mol
LogP15.71
Rot. Bonds10

About N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine

N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 122659607) has the molecular formula C52H34F6N4O and a molecular weight of 844.86 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID122659607
Molecular FormulaC52H34F6N4O
Molecular Weight844.86 g/mol
Exact Mass844.26
IUPAC NameN-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c(C(F)(F)F)c3)o2)ccc1N(c1ccc(-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C52H34F6N4O/c53-51(54,55)45-31-39(19-25-47(45)61(43-13-7-29-59-33-43)41-21-15-37(16-22-41)35-9-3-1-4-10-35)49-27-28-50(63-49)40-20-26-48(46(32-40)52(56,57)58)62(44-14-8-30-60-34-44)42-23-17-38(18-24-42)36-11-5-2-6-12-36/h1-34H
InChIKeyGBADSJIQRMUYLG-UHFFFAOYSA-N
XLogP15.71
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.86
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(5-phenylfuran-2-yl)anilino]phenyl]phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine
CID 59721887
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline
CID 134393257
N-[4-[5-[4-(N,4-dipyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-3-amine;N-(3-phenylphenyl)-N-[4-[5-[4-(3-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-3-amine;N-(3-phenylphenyl)-N-[4-[5-[4-(3-phenyl-N-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-4-amine;N-(4-pyridin-3-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine;N-(4-pyridin-3-ylphenyl)-N-[4-[5-[4-(4-pyridin-3-yl-N-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-4-amine
CID 158328940
9-N,10-N-bis(4-phenylphenyl)-9-N,10-N-dipyridin-3-ylanthracene-9,10-diamine
CID 123403469
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine
CID 59721904
N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 102013805
N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-phenyl-4-pyridin-3-ylaniline
CID 121419360
3-N,3-N,10-N,10-N-tetrapyridin-3-ylperylene-3,10-diamine
CID 20710068
N,N-diphenyl-6-pyridin-3-ylpyridin-3-amine
CID 15982920
N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine
CID 122659590
2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176781189
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine (CID 122659607) is N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine is FC(F)(F)c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c(C(F)(F)F)c3)o2)ccc1N(c1ccc(-c2ccccc2)cc1)c1cccnc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is GBADSJIQRMUYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34F6N4O/c53-51(54,55)45-31-39(19-25-47(45)61(43-13-7-29-59-33-43)41-21-15-37(16-22-41)35-9-3-1-4-10-35)49-27-28-50(63-49)40-20-26-48(46(32-40)52(56,57)58)62(44-14-8-30-60-34-44)42-23-17-38(18-24-42)36-11-5-2-6-12-36/h1-34H.
What are the key properties of N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine?
N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 844.86 g/mol, XLogP of 15.71, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]furan-2-yl]-2-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 122659607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).