N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine

C51H34F4N4O — CID 122659666

IUPACN-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(C(F)(F)F)cc5)c5ccc(-c6ccccc6)nc5)cc4)o3)cc2)c2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C51H34F4N4O/c52-40-17-25-44(26-18-40)59(46-28-30-48(57-34-46)36-9-5-2-6-10-36)42-21-13-38(14-22-42)50-32-31-49(60-50)37-11-19-41(20-12-37)58(43-23-15-39(16-24-43)51(53,54)55)45-27-29-47(56-33-45)35-7-3-1-4-8-35/h1-34H
InChIKeyXLBBPYYZYPKFHV-UHFFFAOYSA-N
MW794.85 g/mol
LogP14.84
Rot. Bonds10

About N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine

N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 122659666) has the molecular formula C51H34F4N4O and a molecular weight of 794.85 g/mol. Its IUPAC name is N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID122659666
Molecular FormulaC51H34F4N4O
Molecular Weight794.85 g/mol
Exact Mass794.27
IUPAC NameN-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(C(F)(F)F)cc5)c5ccc(-c6ccccc6)nc5)cc4)o3)cc2)c2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C51H34F4N4O/c52-40-17-25-44(26-18-40)59(46-28-30-48(57-34-46)36-9-5-2-6-10-36)42-21-13-38(14-22-42)50-32-31-49(60-50)37-11-19-41(20-12-37)58(43-23-15-39(16-24-43)51(53,54)55)45-27-29-47(56-33-45)35-7-3-1-4-8-35/h1-34H
InChIKeyXLBBPYYZYPKFHV-UHFFFAOYSA-N
XLogP14.84
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.85
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine (CID 122659666) is N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine is Fc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(C(F)(F)F)cc5)c5ccc(-c6ccccc6)nc5)cc4)o3)cc2)c2ccc(-c3ccccc3)nc2)cc1.
What is the InChIKey of N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is XLBBPYYZYPKFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34F4N4O/c52-40-17-25-44(26-18-40)59(46-28-30-48(57-34-46)36-9-5-2-6-10-36)42-21-13-38(14-22-42)50-32-31-49(60-50)37-11-19-41(20-12-37)58(43-23-15-39(16-24-43)51(53,54)55)45-27-29-47(56-33-45)35-7-3-1-4-8-35/h1-34H.
What are the key properties of N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 794.85 g/mol, XLogP of 14.84, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[4-(4-fluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]furan-2-yl]phenyl]-6-phenyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 122659666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).