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

C52H34F6N4O — CID 122660805

IUPAC6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFC(F)(F)c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(C(F)(F)F)cc5)c5ccc(-c6ccccc6)nc5)cc4)o3)cc2)c2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C52H34F6N4O/c53-51(54,55)39-15-23-43(24-16-39)61(45-27-29-47(59-33-45)35-7-3-1-4-8-35)41-19-11-37(12-20-41)49-31-32-50(63-49)38-13-21-42(22-14-38)62(44-25-17-40(18-26-44)52(56,57)58)46-28-30-48(60-34-46)36-9-5-2-6-10-36/h1-34H
InChIKeyZQXCEQXJEOEALU-UHFFFAOYSA-N
MW844.86 g/mol
LogP15.71
Rot. Bonds10

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

6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 122660805) has the molecular formula C52H34F6N4O and a molecular weight of 844.86 g/mol. Its IUPAC name is 6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID122660805
Molecular FormulaC52H34F6N4O
Molecular Weight844.86 g/mol
Exact Mass844.26
IUPAC Name6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFC(F)(F)c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(C(F)(F)F)cc5)c5ccc(-c6ccccc6)nc5)cc4)o3)cc2)c2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C52H34F6N4O/c53-51(54,55)39-15-23-43(24-16-39)61(45-27-29-47(59-33-45)35-7-3-1-4-8-35)41-19-11-37(12-20-41)49-31-32-50(63-49)38-13-21-42(22-14-38)62(44-25-17-40(18-26-44)52(56,57)58)46-28-30-48(60-34-46)36-9-5-2-6-10-36/h1-34H
InChIKeyZQXCEQXJEOEALU-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

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine (CID 122660805) is 6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine is FC(F)(F)c1ccc(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 6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is ZQXCEQXJEOEALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34F6N4O/c53-51(54,55)39-15-23-43(24-16-39)61(45-27-29-47(59-33-45)35-7-3-1-4-8-35)41-19-11-37(12-20-41)49-31-32-50(63-49)38-13-21-42(22-14-38)62(44-25-17-40(18-26-44)52(56,57)58)46-28-30-48(60-34-46)36-9-5-2-6-10-36/h1-34H.
What are the key properties of 6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(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 6-phenyl-N-[4-[5-[4-[N-(6-phenyl-3-pyridinyl)-4-(trifluoromethyl)anilino]phenyl]furan-2-yl]phenyl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 122660805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).