2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine

C46H32N2 — CID 59629341

IUPAC2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc4)cn3)c2)cc1
InChIInChI=1S/C46H32N2/c1-5-13-33(14-6-1)39-25-40(34-15-7-2-8-16-34)28-43(27-39)45-23-21-37(31-47-45)38-22-24-46(48-32-38)44-29-41(35-17-9-3-10-18-35)26-42(30-44)36-19-11-4-12-20-36/h1-32H
InChIKeyDEJGDEAHXBFRBS-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.15
Rot. Bonds7

About 2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine

2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine (PubChem CID 59629341) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
PubChem CID59629341
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc4)cn3)c2)cc1
InChIInChI=1S/C46H32N2/c1-5-13-33(14-6-1)39-25-40(34-15-7-2-8-16-34)28-43(27-39)45-23-21-37(31-47-45)38-22-24-46(48-32-38)44-29-41(35-17-9-3-10-18-35)26-42(30-44)36-19-11-4-12-20-36/h1-32H
InChIKeyDEJGDEAHXBFRBS-UHFFFAOYSA-N
XLogP12.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine?
The IUPAC name of 2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine (CID 59629341) is 2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine?
The canonical SMILES for 2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc4)cn3)c2)cc1.
What is the InChIKey of 2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine?
The InChIKey is DEJGDEAHXBFRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-5-13-33(14-6-1)39-25-40(34-15-7-2-8-16-34)28-43(27-39)45-23-21-37(31-47-45)38-22-24-46(48-32-38)44-29-41(35-17-9-3-10-18-35)26-42(30-44)36-19-11-4-12-20-36/h1-32H.
What are the key properties of 2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine?
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine has a molecular weight of 612.78 g/mol, XLogP of 12.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine is sourced from PubChem (CID 59629341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).