4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine

C60H51FN2 — CID 134191314

IUPAC4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(F)cc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)c1
InChIInChI=1S/C60H51FN2/c1-59(2,3)48-31-33-62-57(38-48)43-23-19-40(20-24-43)51-13-7-10-16-54(51)45-35-46(37-47(36-45)56-18-12-9-15-53(56)42-27-29-50(61)30-28-42)55-17-11-8-14-52(55)41-21-25-44(26-22-41)58-39-49(32-34-63-58)60(4,5)6/h7-39H,1-6H3
InChIKeyVPSFBJZPSHDUOI-UHFFFAOYSA-N
MW819.08 g/mol
LogP16.55
Rot. Bonds8

About 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine

4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 134191314) has the molecular formula C60H51FN2 and a molecular weight of 819.08 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID134191314
Molecular FormulaC60H51FN2
Molecular Weight819.08 g/mol
Exact Mass818.40
IUPAC Name4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(F)cc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)c1
InChIInChI=1S/C60H51FN2/c1-59(2,3)48-31-33-62-57(38-48)43-23-19-40(20-24-43)51-13-7-10-16-54(51)45-35-46(37-47(36-45)56-18-12-9-15-53(56)42-27-29-50(61)30-28-42)55-17-11-8-14-52(55)41-21-25-44(26-22-41)58-39-49(32-34-63-58)60(4,5)6/h7-39H,1-6H3
InChIKeyVPSFBJZPSHDUOI-UHFFFAOYSA-N
XLogP16.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.08
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 134191314) is 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine is CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(F)cc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)c1.
What is the InChIKey of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is VPSFBJZPSHDUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51FN2/c1-59(2,3)48-31-33-62-57(38-48)43-23-19-40(20-24-43)51-13-7-10-16-54(51)45-35-46(37-47(36-45)56-18-12-9-15-53(56)42-27-29-50(61)30-28-42)55-17-11-8-14-52(55)41-21-25-44(26-22-41)58-39-49(32-34-63-58)60(4,5)6/h7-39H,1-6H3.
What are the key properties of 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 819.08 g/mol, XLogP of 16.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 134191314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).