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

C66H42N12 — CID 58090487

IUPAC2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine
SMILESc1cncc(-c2cccc(-c3cccc(-c4cccc(-c5cc(-c6cccc(-c7cccc(-c8cccc(-c9cccnc9)n8)n7)n6)cc(-c6cccc(-c7cccc(-c8cccc(-c9cccnc9)n8)n7)n6)c5)n4)n3)n2)c1
InChIInChI=1S/C66H42N12/c1-16-49(43-13-10-34-67-40-43)70-55(22-1)61-28-7-31-64(76-61)58-25-4-19-52(73-58)46-37-47(53-20-5-26-59(74-53)65-32-8-29-62(77-65)56-23-2-17-50(71-56)44-14-11-35-68-41-44)39-48(38-46)54-21-6-27-60(75-54)66-33-9-30-63(78-66)57-24-3-18-51(72-57)45-15-12-36-69-42-45/h1-42H
InChIKeyCQLGNRLNJWHGMF-UHFFFAOYSA-N
MW1003.15 g/mol
LogP14.43
Rot. Bonds12

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

2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine (PubChem CID 58090487) has the molecular formula C66H42N12 and a molecular weight of 1003.15 g/mol. Its IUPAC name is 2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine
PubChem CID58090487
Molecular FormulaC66H42N12
Molecular Weight1003.15 g/mol
Exact Mass1002.37
IUPAC Name2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine
SMILESc1cncc(-c2cccc(-c3cccc(-c4cccc(-c5cc(-c6cccc(-c7cccc(-c8cccc(-c9cccnc9)n8)n7)n6)cc(-c6cccc(-c7cccc(-c8cccc(-c9cccnc9)n8)n7)n6)c5)n4)n3)n2)c1
InChIInChI=1S/C66H42N12/c1-16-49(43-13-10-34-67-40-43)70-55(22-1)61-28-7-31-64(76-61)58-25-4-19-52(73-58)46-37-47(53-20-5-26-59(74-53)65-32-8-29-62(77-65)56-23-2-17-50(71-56)44-14-11-35-68-41-44)39-48(38-46)54-21-6-27-60(75-54)66-33-9-30-63(78-66)57-24-3-18-51(72-57)45-15-12-36-69-42-45/h1-42H
InChIKeyCQLGNRLNJWHGMF-UHFFFAOYSA-N
XLogP14.43
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001003.15
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine?
The IUPAC name of 2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine (CID 58090487) is 2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine is c1cncc(-c2cccc(-c3cccc(-c4cccc(-c5cc(-c6cccc(-c7cccc(-c8cccc(-c9cccnc9)n8)n7)n6)cc(-c6cccc(-c7cccc(-c8cccc(-c9cccnc9)n8)n7)n6)c5)n4)n3)n2)c1.
What is the InChIKey of 2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine?
The InChIKey is CQLGNRLNJWHGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N12/c1-16-49(43-13-10-34-67-40-43)70-55(22-1)61-28-7-31-64(76-61)58-25-4-19-52(73-58)46-37-47(53-20-5-26-59(74-53)65-32-8-29-62(77-65)56-23-2-17-50(71-56)44-14-11-35-68-41-44)39-48(38-46)54-21-6-27-60(75-54)66-33-9-30-63(78-66)57-24-3-18-51(72-57)45-15-12-36-69-42-45/h1-42H.
What are the key properties of 2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine?
2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine has a molecular weight of 1003.15 g/mol, XLogP of 14.43, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 58090487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).