4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine

C51H33N9 — CID 102352668

IUPAC4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)ncc4-c4ccccn4)cc(-c4cc(-c5ccccn5)ncc4-c4ccccn4)c3)c(-c3ccccn3)cn2)nc1
InChIInChI=1S/C51H33N9/c1-7-19-52-43(13-1)40-31-58-49(46-16-4-10-22-55-46)28-37(40)34-25-35(38-29-50(47-17-5-11-23-56-47)59-32-41(38)44-14-2-8-20-53-44)27-36(26-34)39-30-51(48-18-6-12-24-57-48)60-33-42(39)45-15-3-9-21-54-45/h1-33H
InChIKeyCNUGGAMLTOMUSO-UHFFFAOYSA-N
MW771.89 g/mol
LogP11.24
Rot. Bonds9

About 4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine

4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine (PubChem CID 102352668) has the molecular formula C51H33N9 and a molecular weight of 771.89 g/mol. Its IUPAC name is 4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine
PubChem CID102352668
Molecular FormulaC51H33N9
Molecular Weight771.89 g/mol
Exact Mass771.29
IUPAC Name4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)ncc4-c4ccccn4)cc(-c4cc(-c5ccccn5)ncc4-c4ccccn4)c3)c(-c3ccccn3)cn2)nc1
InChIInChI=1S/C51H33N9/c1-7-19-52-43(13-1)40-31-58-49(46-16-4-10-22-55-46)28-37(40)34-25-35(38-29-50(47-17-5-11-23-56-47)59-32-41(38)44-14-2-8-20-53-44)27-36(26-34)39-30-51(48-18-6-12-24-57-48)60-33-42(39)45-15-3-9-21-54-45/h1-33H
InChIKeyCNUGGAMLTOMUSO-UHFFFAOYSA-N
XLogP11.24
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.89
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine?
The IUPAC name of 4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine (CID 102352668) is 4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)ncc4-c4ccccn4)cc(-c4cc(-c5ccccn5)ncc4-c4ccccn4)c3)c(-c3ccccn3)cn2)nc1.
What is the InChIKey of 4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine?
The InChIKey is CNUGGAMLTOMUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N9/c1-7-19-52-43(13-1)40-31-58-49(46-16-4-10-22-55-46)28-37(40)34-25-35(38-29-50(47-17-5-11-23-56-47)59-32-41(38)44-14-2-8-20-53-44)27-36(26-34)39-30-51(48-18-6-12-24-57-48)60-33-42(39)45-15-3-9-21-54-45/h1-33H.
What are the key properties of 4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine?
4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine has a molecular weight of 771.89 g/mol, XLogP of 11.24, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(2,5-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dipyridin-2-ylpyridine is sourced from PubChem (CID 102352668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).