2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine

C38H36N6 — CID 69412190

IUPAC2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine
SMILESCc1cccc(C(c2cccc(C)n2)c2cccc(CCc3cccc(C(c4cccc(C)n4)c4cccc(C)n4)n3)n2)n1
InChIInChI=1S/C38H36N6/c1-25-11-5-17-31(39-25)37(32-18-6-12-26(2)40-32)35-21-9-15-29(43-35)23-24-30-16-10-22-36(44-30)38(33-19-7-13-27(3)41-33)34-20-8-14-28(4)42-34/h5-22,37-38H,23-24H2,1-4H3
InChIKeyPLXDMXPMEBCTTH-UHFFFAOYSA-N
MW576.75 g/mol
LogP7.44
Rot. Bonds9

About 2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine

2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine (PubChem CID 69412190) has the molecular formula C38H36N6 and a molecular weight of 576.75 g/mol. Its IUPAC name is 2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine.

Molecular Properties

Compound Name2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine
PubChem CID69412190
Molecular FormulaC38H36N6
Molecular Weight576.75 g/mol
Exact Mass576.30
IUPAC Name2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine
SMILESCc1cccc(C(c2cccc(C)n2)c2cccc(CCc3cccc(C(c4cccc(C)n4)c4cccc(C)n4)n3)n2)n1
InChIInChI=1S/C38H36N6/c1-25-11-5-17-31(39-25)37(32-18-6-12-26(2)40-32)35-21-9-15-29(43-35)23-24-30-16-10-22-36(44-30)38(33-19-7-13-27(3)41-33)34-20-8-14-28(4)42-34/h5-22,37-38H,23-24H2,1-4H3
InChIKeyPLXDMXPMEBCTTH-UHFFFAOYSA-N
XLogP7.44
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.75
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine?
The IUPAC name of 2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine (CID 69412190) is 2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine.
What is the SMILES notation for 2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine?
The canonical SMILES for 2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine is Cc1cccc(C(c2cccc(C)n2)c2cccc(CCc3cccc(C(c4cccc(C)n4)c4cccc(C)n4)n3)n2)n1.
What is the InChIKey of 2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine?
The InChIKey is PLXDMXPMEBCTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N6/c1-25-11-5-17-31(39-25)37(32-18-6-12-26(2)40-32)35-21-9-15-29(43-35)23-24-30-16-10-22-36(44-30)38(33-19-7-13-27(3)41-33)34-20-8-14-28(4)42-34/h5-22,37-38H,23-24H2,1-4H3.
What are the key properties of 2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine?
2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine has a molecular weight of 576.75 g/mol, XLogP of 7.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(6-methyl-2-pyridinyl)methyl]-6-[2-[6-[bis(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]ethyl]pyridine is sourced from PubChem (CID 69412190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).