4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine

C59H38F6N4 — CID 155432147

IUPAC4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine
SMILESFC(F)(F)C(c1cc(-c2ccnc(-c3ccccc3)c2)cc(-c2ccnc(-c3ccccc3)c2)c1)(c1cc(-c2ccnc(-c3ccccc3)c2)cc(-c2ccnc(-c3ccccc3)c2)c1)C(F)(F)F
InChIInChI=1S/C59H38F6N4/c60-58(61,62)57(59(63,64)65,51-31-47(43-21-25-66-53(35-43)39-13-5-1-6-14-39)29-48(32-51)44-22-26-67-54(36-44)40-15-7-2-8-16-40)52-33-49(45-23-27-68-55(37-45)41-17-9-3-10-18-41)30-50(34-52)46-24-28-69-56(38-46)42-19-11-4-12-20-42/h1-38H
InChIKeyCBLPFFCEBURFAU-UHFFFAOYSA-N
MW916.97 g/mol
LogP16.01
Rot. Bonds10

About 4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine

4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine (PubChem CID 155432147) has the molecular formula C59H38F6N4 and a molecular weight of 916.97 g/mol. Its IUPAC name is 4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine
PubChem CID155432147
Molecular FormulaC59H38F6N4
Molecular Weight916.97 g/mol
Exact Mass916.30
IUPAC Name4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine
SMILESFC(F)(F)C(c1cc(-c2ccnc(-c3ccccc3)c2)cc(-c2ccnc(-c3ccccc3)c2)c1)(c1cc(-c2ccnc(-c3ccccc3)c2)cc(-c2ccnc(-c3ccccc3)c2)c1)C(F)(F)F
InChIInChI=1S/C59H38F6N4/c60-58(61,62)57(59(63,64)65,51-31-47(43-21-25-66-53(35-43)39-13-5-1-6-14-39)29-48(32-51)44-22-26-67-54(36-44)40-15-7-2-8-16-40)52-33-49(45-23-27-68-55(37-45)41-17-9-3-10-18-41)30-50(34-52)46-24-28-69-56(38-46)42-19-11-4-12-20-42/h1-38H
InChIKeyCBLPFFCEBURFAU-UHFFFAOYSA-N
XLogP16.01
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.97
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine?
The IUPAC name of 4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine (CID 155432147) is 4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine.
What is the SMILES notation for 4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine?
The canonical SMILES for 4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine is FC(F)(F)C(c1cc(-c2ccnc(-c3ccccc3)c2)cc(-c2ccnc(-c3ccccc3)c2)c1)(c1cc(-c2ccnc(-c3ccccc3)c2)cc(-c2ccnc(-c3ccccc3)c2)c1)C(F)(F)F.
What is the InChIKey of 4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine?
The InChIKey is CBLPFFCEBURFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38F6N4/c60-58(61,62)57(59(63,64)65,51-31-47(43-21-25-66-53(35-43)39-13-5-1-6-14-39)29-48(32-51)44-22-26-67-54(36-44)40-15-7-2-8-16-40)52-33-49(45-23-27-68-55(37-45)41-17-9-3-10-18-41)30-50(34-52)46-24-28-69-56(38-46)42-19-11-4-12-20-42/h1-38H.
What are the key properties of 4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine?
4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine has a molecular weight of 916.97 g/mol, XLogP of 16.01, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[3,5-bis(2-phenyl-4-pyridinyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-(2-phenyl-4-pyridinyl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 155432147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).