2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine

C47H32F2N8 — CID 88987458

IUPAC2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
SMILESCC1C=CN=C(c2cccc(-c3c(F)c(-c4cccc(-c5ccccn5)n4)c(-c4cccc(-c5ccccn5)n4)c(F)c3-c3cccc(-c4ccccn4)n3)n2)C1
InChIInChI=1S/C47H32F2N8/c1-29-23-27-53-41(28-29)36-18-11-22-40(57-36)45-44(39-21-10-17-35(56-39)32-14-4-7-26-52-32)46(48)42(37-19-8-15-33(54-37)30-12-2-5-24-50-30)43(47(45)49)38-20-9-16-34(55-38)31-13-3-6-25-51-31/h2-27,29H,28H2,1H3
InChIKeyLVOSNYPAQCEGAQ-UHFFFAOYSA-N
MW746.83 g/mol
LogP10.74
Rot. Bonds8

About 2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine

2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine (PubChem CID 88987458) has the molecular formula C47H32F2N8 and a molecular weight of 746.83 g/mol. Its IUPAC name is 2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
PubChem CID88987458
Molecular FormulaC47H32F2N8
Molecular Weight746.83 g/mol
Exact Mass746.27
IUPAC Name2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
SMILESCC1C=CN=C(c2cccc(-c3c(F)c(-c4cccc(-c5ccccn5)n4)c(-c4cccc(-c5ccccn5)n4)c(F)c3-c3cccc(-c4ccccn4)n3)n2)C1
InChIInChI=1S/C47H32F2N8/c1-29-23-27-53-41(28-29)36-18-11-22-40(57-36)45-44(39-21-10-17-35(56-39)32-14-4-7-26-52-32)46(48)42(37-19-8-15-33(54-37)30-12-2-5-24-50-30)43(47(45)49)38-20-9-16-34(55-38)31-13-3-6-25-51-31/h2-27,29H,28H2,1H3
InChIKeyLVOSNYPAQCEGAQ-UHFFFAOYSA-N
XLogP10.74
TPSA102.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.83
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine (CID 88987458) is 2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine is CC1C=CN=C(c2cccc(-c3c(F)c(-c4cccc(-c5ccccn5)n4)c(-c4cccc(-c5ccccn5)n4)c(F)c3-c3cccc(-c4ccccn4)n3)n2)C1.
What is the InChIKey of 2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine?
The InChIKey is LVOSNYPAQCEGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32F2N8/c1-29-23-27-53-41(28-29)36-18-11-22-40(57-36)45-44(39-21-10-17-35(56-39)32-14-4-7-26-52-32)46(48)42(37-19-8-15-33(54-37)30-12-2-5-24-50-30)43(47(45)49)38-20-9-16-34(55-38)31-13-3-6-25-51-31/h2-27,29H,28H2,1H3.
What are the key properties of 2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine?
2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine has a molecular weight of 746.83 g/mol, XLogP of 10.74, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-difluoro-3-[6-(4-methyl-3,4-dihydropyridin-2-yl)-2-pyridinyl]-4,6-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 88987458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).