2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine

C54H36N6 — CID 102128661

IUPAC2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine
SMILESc1cncc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)c6)n5)cc(-c5cccc(-c6cccc(-c7cccnc7)c6)n5)c4)n3)c2)c1
InChIInChI=1S/C54H36N6/c1-10-37(43-16-7-25-55-34-43)28-40(13-1)49-19-4-22-52(58-49)46-31-47(53-23-5-20-50(59-53)41-14-2-11-38(29-41)44-17-8-26-56-35-44)33-48(32-46)54-24-6-21-51(60-54)42-15-3-12-39(30-42)45-18-9-27-57-36-45/h1-36H
InChIKeyUTMBURFHCCZQCN-UHFFFAOYSA-N
MW768.92 g/mol
LogP13.06
Rot. Bonds9

About 2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine

2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine (PubChem CID 102128661) has the molecular formula C54H36N6 and a molecular weight of 768.92 g/mol. Its IUPAC name is 2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine.

Molecular Properties

Compound Name2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine
PubChem CID102128661
Molecular FormulaC54H36N6
Molecular Weight768.92 g/mol
Exact Mass768.30
IUPAC Name2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine
SMILESc1cncc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)c6)n5)cc(-c5cccc(-c6cccc(-c7cccnc7)c6)n5)c4)n3)c2)c1
InChIInChI=1S/C54H36N6/c1-10-37(43-16-7-25-55-34-43)28-40(13-1)49-19-4-22-52(58-49)46-31-47(53-23-5-20-50(59-53)41-14-2-11-38(29-41)44-17-8-26-56-35-44)33-48(32-46)54-24-6-21-51(60-54)42-15-3-12-39(30-42)45-18-9-27-57-36-45/h1-36H
InChIKeyUTMBURFHCCZQCN-UHFFFAOYSA-N
XLogP13.06
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine?
The IUPAC name of 2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine (CID 102128661) is 2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine.
What is the SMILES notation for 2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine?
The canonical SMILES for 2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine is c1cncc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)c6)n5)cc(-c5cccc(-c6cccc(-c7cccnc7)c6)n5)c4)n3)c2)c1.
What is the InChIKey of 2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine?
The InChIKey is UTMBURFHCCZQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N6/c1-10-37(43-16-7-25-55-34-43)28-40(13-1)49-19-4-22-52(58-49)46-31-47(53-23-5-20-50(59-53)41-14-2-11-38(29-41)44-17-8-26-56-35-44)33-48(32-46)54-24-6-21-51(60-54)42-15-3-12-39(30-42)45-18-9-27-57-36-45/h1-36H.
What are the key properties of 2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine?
2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine has a molecular weight of 768.92 g/mol, XLogP of 13.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[6-(3-pyridin-3-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyridine is sourced from PubChem (CID 102128661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).