5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine

C45H36F3N3 — CID 59657001

IUPAC5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(F)cc5)nc4)cc(CCc4ccc(-c5ccc(F)cc5)nc4)c3)cn2)cc1
InChIInChI=1S/C45H36F3N3/c46-40-16-10-37(11-17-40)43-22-7-31(28-49-43)1-4-34-25-35(5-2-32-8-23-44(50-29-32)38-12-18-41(47)19-13-38)27-36(26-34)6-3-33-9-24-45(51-30-33)39-14-20-42(48)21-15-39/h7-30H,1-6H2
InChIKeyLSCHLKQWDAOIQZ-UHFFFAOYSA-N
MW675.80 g/mol
LogP10.65
Rot. Bonds12

About 5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine

5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine (PubChem CID 59657001) has the molecular formula C45H36F3N3 and a molecular weight of 675.80 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine
PubChem CID59657001
Molecular FormulaC45H36F3N3
Molecular Weight675.80 g/mol
Exact Mass675.29
IUPAC Name5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(F)cc5)nc4)cc(CCc4ccc(-c5ccc(F)cc5)nc4)c3)cn2)cc1
InChIInChI=1S/C45H36F3N3/c46-40-16-10-37(11-17-40)43-22-7-31(28-49-43)1-4-34-25-35(5-2-32-8-23-44(50-29-32)38-12-18-41(47)19-13-38)27-36(26-34)6-3-33-9-24-45(51-30-33)39-14-20-42(48)21-15-39/h7-30H,1-6H2
InChIKeyLSCHLKQWDAOIQZ-UHFFFAOYSA-N
XLogP10.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.80
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine (CID 59657001) is 5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine is Fc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(F)cc5)nc4)cc(CCc4ccc(-c5ccc(F)cc5)nc4)c3)cn2)cc1.
What is the InChIKey of 5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine?
The InChIKey is LSCHLKQWDAOIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36F3N3/c46-40-16-10-37(11-17-40)43-22-7-31(28-49-43)1-4-34-25-35(5-2-32-8-23-44(50-29-32)38-12-18-41(47)19-13-38)27-36(26-34)6-3-33-9-24-45(51-30-33)39-14-20-42(48)21-15-39/h7-30H,1-6H2.
What are the key properties of 5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine?
5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine has a molecular weight of 675.80 g/mol, XLogP of 10.65, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-[6-(4-fluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(4-fluorophenyl)pyridine is sourced from PubChem (CID 59657001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).