4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine

C52H32F13N3 — CID 168800374

IUPAC4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(-c2ccc(C(c3ccc(-c4ccncc4)cc3)(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccncc4)cc3)cc2)cc1
InChIInChI=1S/C52H32F13N3/c53-47(54,48(55,56)49(57,58)50(59,60)51(61,62)52(63,64)65)45-19-9-34(10-20-45)33-1-11-41(12-2-33)46(42-13-3-35(4-14-42)38-21-27-66-28-22-38,43-15-5-36(6-16-43)39-23-29-67-30-24-39)44-17-7-37(8-18-44)40-25-31-68-32-26-40/h1-32H
InChIKeyQDXPYNJHEFPRRD-UHFFFAOYSA-N
MW945.82 g/mol
LogP15.12
Rot. Bonds13

About 4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine

4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine (PubChem CID 168800374) has the molecular formula C52H32F13N3 and a molecular weight of 945.82 g/mol. Its IUPAC name is 4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine
PubChem CID168800374
Molecular FormulaC52H32F13N3
Molecular Weight945.82 g/mol
Exact Mass945.24
IUPAC Name4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(-c2ccc(C(c3ccc(-c4ccncc4)cc3)(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccncc4)cc3)cc2)cc1
InChIInChI=1S/C52H32F13N3/c53-47(54,48(55,56)49(57,58)50(59,60)51(61,62)52(63,64)65)45-19-9-34(10-20-45)33-1-11-41(12-2-33)46(42-13-3-35(4-14-42)38-21-27-66-28-22-38,43-15-5-36(6-16-43)39-23-29-67-30-24-39)44-17-7-37(8-18-44)40-25-31-68-32-26-40/h1-32H
InChIKeyQDXPYNJHEFPRRD-UHFFFAOYSA-N
XLogP15.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.82
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine?
The IUPAC name of 4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine (CID 168800374) is 4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine.
What is the SMILES notation for 4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine?
The canonical SMILES for 4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(-c2ccc(C(c3ccc(-c4ccncc4)cc3)(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccncc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine?
The InChIKey is QDXPYNJHEFPRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F13N3/c53-47(54,48(55,56)49(57,58)50(59,60)51(61,62)52(63,64)65)45-19-9-34(10-20-45)33-1-11-41(12-2-33)46(42-13-3-35(4-14-42)38-21-27-66-28-22-38,43-15-5-36(6-16-43)39-23-29-67-30-24-39)44-17-7-37(8-18-44)40-25-31-68-32-26-40/h1-32H.
What are the key properties of 4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine?
4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine has a molecular weight of 945.82 g/mol, XLogP of 15.12, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine is sourced from PubChem (CID 168800374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).