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

C45H33F6N3 — CID 59657003

IUPAC5-[2-[3,5-bis[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(F)cc5F)nc4)cc(CCc4ccc(-c5ccc(F)cc5F)nc4)c3)cn2)c(F)c1
InChIInChI=1S/C45H33F6N3/c46-34-10-13-37(40(49)22-34)43-16-7-28(25-52-43)1-4-31-19-32(5-2-29-8-17-44(53-26-29)38-14-11-35(47)23-41(38)50)21-33(20-31)6-3-30-9-18-45(54-27-30)39-15-12-36(48)24-42(39)51/h7-27H,1-6H2
InChIKeyFHRGNQXEQQRDKK-UHFFFAOYSA-N
MW729.77 g/mol
LogP11.06
Rot. Bonds12

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

5-[2-[3,5-bis[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine (PubChem CID 59657003) has the molecular formula C45H33F6N3 and a molecular weight of 729.77 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine
PubChem CID59657003
Molecular FormulaC45H33F6N3
Molecular Weight729.77 g/mol
Exact Mass729.26
IUPAC Name5-[2-[3,5-bis[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(F)cc5F)nc4)cc(CCc4ccc(-c5ccc(F)cc5F)nc4)c3)cn2)c(F)c1
InChIInChI=1S/C45H33F6N3/c46-34-10-13-37(40(49)22-34)43-16-7-28(25-52-43)1-4-31-19-32(5-2-29-8-17-44(53-26-29)38-14-11-35(47)23-41(38)50)21-33(20-31)6-3-30-9-18-45(54-27-30)39-15-12-36(48)24-42(39)51/h7-27H,1-6H2
InChIKeyFHRGNQXEQQRDKK-UHFFFAOYSA-N
XLogP11.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.77
LogP ≤ 511.06
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-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine (CID 59657003) is 5-[2-[3,5-bis[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine is Fc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(F)cc5F)nc4)cc(CCc4ccc(-c5ccc(F)cc5F)nc4)c3)cn2)c(F)c1.
What is the InChIKey of 5-[2-[3,5-bis[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine?
The InChIKey is FHRGNQXEQQRDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33F6N3/c46-34-10-13-37(40(49)22-34)43-16-7-28(25-52-43)1-4-31-19-32(5-2-29-8-17-44(53-26-29)38-14-11-35(47)23-41(38)50)21-33(20-31)6-3-30-9-18-45(54-27-30)39-15-12-36(48)24-42(39)51/h7-27H,1-6H2.
What are the key properties of 5-[2-[3,5-bis[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine?
5-[2-[3,5-bis[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine has a molecular weight of 729.77 g/mol, XLogP of 11.06, 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-(2,4-difluorophenyl)-3-pyridinyl]ethyl]phenyl]ethyl]-2-(2,4-difluorophenyl)pyridine is sourced from PubChem (CID 59657003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).