2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine

C60H40N6 — CID 67990647

IUPAC2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)cc2)nc1
InChIInChI=1S/C60H40N6/c1-7-27-61-55(13-1)43-23-19-41(20-24-43)51-39-52(42-21-25-44(26-22-42)56-14-2-8-28-62-56)54(46-35-49(59-17-5-11-31-65-59)38-50(36-46)60-18-6-12-32-66-60)40-53(51)45-33-47(57-15-3-9-29-63-57)37-48(34-45)58-16-4-10-30-64-58/h1-40H
InChIKeyZNOUJBPVGNSPSP-UHFFFAOYSA-N
MW845.02 g/mol
LogP14.73
Rot. Bonds10

About 2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine

2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 67990647) has the molecular formula C60H40N6 and a molecular weight of 845.02 g/mol. Its IUPAC name is 2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine
PubChem CID67990647
Molecular FormulaC60H40N6
Molecular Weight845.02 g/mol
Exact Mass844.33
IUPAC Name2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)cc2)nc1
InChIInChI=1S/C60H40N6/c1-7-27-61-55(13-1)43-23-19-41(20-24-43)51-39-52(42-21-25-44(26-22-42)56-14-2-8-28-62-56)54(46-35-49(59-17-5-11-31-65-59)38-50(36-46)60-18-6-12-32-66-60)40-53(51)45-33-47(57-15-3-9-29-63-57)37-48(34-45)58-16-4-10-30-64-58/h1-40H
InChIKeyZNOUJBPVGNSPSP-UHFFFAOYSA-N
XLogP14.73
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.02
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine (CID 67990647) is 2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)cc2)nc1.
What is the InChIKey of 2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is ZNOUJBPVGNSPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N6/c1-7-27-61-55(13-1)43-23-19-41(20-24-43)51-39-52(42-21-25-44(26-22-42)56-14-2-8-28-62-56)54(46-35-49(59-17-5-11-31-65-59)38-50(36-46)60-18-6-12-32-66-60)40-53(51)45-33-47(57-15-3-9-29-63-57)37-48(34-45)58-16-4-10-30-64-58/h1-40H.
What are the key properties of 2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine?
2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 845.02 g/mol, XLogP of 14.73, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,4-bis(3,5-dipyridin-2-ylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 67990647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).