2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine

C52H33ClN8 — CID 71127782

IUPAC2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine
SMILESClc1cc(-c2ccccn2)nc(-c2nc(-c3cccc(-c4cccc(-c5ccccn5)n4)n3)c(-c3cccc(-c4ccccc4)n3)cc2-c2cccc(-c3ccccc3)n2)c1
InChIInChI=1S/C52H33ClN8/c53-36-31-49(44-20-8-10-30-55-44)60-50(32-36)52-38(42-24-12-22-40(57-42)35-17-5-2-6-18-35)33-37(41-23-11-21-39(56-41)34-15-3-1-4-16-34)51(61-52)48-28-14-27-47(59-48)46-26-13-25-45(58-46)43-19-7-9-29-54-43/h1-33H
InChIKeyYALXGWJRGBDKGV-UHFFFAOYSA-N
MW805.35 g/mol
LogP12.50
Rot. Bonds9

About 2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine

2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine (PubChem CID 71127782) has the molecular formula C52H33ClN8 and a molecular weight of 805.35 g/mol. Its IUPAC name is 2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine
PubChem CID71127782
Molecular FormulaC52H33ClN8
Molecular Weight805.35 g/mol
Exact Mass804.25
IUPAC Name2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine
SMILESClc1cc(-c2ccccn2)nc(-c2nc(-c3cccc(-c4cccc(-c5ccccn5)n4)n3)c(-c3cccc(-c4ccccc4)n3)cc2-c2cccc(-c3ccccc3)n2)c1
InChIInChI=1S/C52H33ClN8/c53-36-31-49(44-20-8-10-30-55-44)60-50(32-36)52-38(42-24-12-22-40(57-42)35-17-5-2-6-18-35)33-37(41-23-11-21-39(56-41)34-15-3-1-4-16-34)51(61-52)48-28-14-27-47(59-48)46-26-13-25-45(58-46)43-19-7-9-29-54-43/h1-33H
InChIKeyYALXGWJRGBDKGV-UHFFFAOYSA-N
XLogP12.50
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.35
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine?
The IUPAC name of 2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine (CID 71127782) is 2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine is Clc1cc(-c2ccccn2)nc(-c2nc(-c3cccc(-c4cccc(-c5ccccn5)n4)n3)c(-c3cccc(-c4ccccc4)n3)cc2-c2cccc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine?
The InChIKey is YALXGWJRGBDKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33ClN8/c53-36-31-49(44-20-8-10-30-55-44)60-50(32-36)52-38(42-24-12-22-40(57-42)35-17-5-2-6-18-35)33-37(41-23-11-21-39(56-41)34-15-3-1-4-16-34)51(61-52)48-28-14-27-47(59-48)46-26-13-25-45(58-46)43-19-7-9-29-54-43/h1-33H.
What are the key properties of 2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine?
2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine has a molecular weight of 805.35 g/mol, XLogP of 12.50, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-pyridin-2-yl-2-pyridinyl)-3,5-bis(6-phenyl-2-pyridinyl)-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 71127782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).