2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine

C30H23N3 — CID 118352530

IUPAC2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine
SMILESCc1cc(-c2ncc(-c3cccnc3)cc2/C=C/c2ccccc2)cnc1-c1ccccc1
InChIInChI=1S/C30H23N3/c1-22-17-28(21-32-29(22)24-11-6-3-7-12-24)30-25(15-14-23-9-4-2-5-10-23)18-27(20-33-30)26-13-8-16-31-19-26/h2-21H,1H3/b15-14+
InChIKeySTHBEMLNXYKZNM-CCEZHUSRSA-N
MW425.54 g/mol
LogP7.35
Rot. Bonds5

About 2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine

2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine (PubChem CID 118352530) has the molecular formula C30H23N3 and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine
PubChem CID118352530
Molecular FormulaC30H23N3
Molecular Weight425.54 g/mol
Exact Mass425.19
IUPAC Name2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine
SMILESCc1cc(-c2ncc(-c3cccnc3)cc2/C=C/c2ccccc2)cnc1-c1ccccc1
InChIInChI=1S/C30H23N3/c1-22-17-28(21-32-29(22)24-11-6-3-7-12-24)30-25(15-14-23-9-4-2-5-10-23)18-27(20-33-30)26-13-8-16-31-19-26/h2-21H,1H3/b15-14+
InChIKeySTHBEMLNXYKZNM-CCEZHUSRSA-N
XLogP7.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine?
The IUPAC name of 2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine (CID 118352530) is 2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine.
What is the SMILES notation for 2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine?
The canonical SMILES for 2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine is Cc1cc(-c2ncc(-c3cccnc3)cc2/C=C/c2ccccc2)cnc1-c1ccccc1.
What is the InChIKey of 2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine?
The InChIKey is STHBEMLNXYKZNM-CCEZHUSRSA-N. The full InChI is InChI=1S/C30H23N3/c1-22-17-28(21-32-29(22)24-11-6-3-7-12-24)30-25(15-14-23-9-4-2-5-10-23)18-27(20-33-30)26-13-8-16-31-19-26/h2-21H,1H3/b15-14+.
What are the key properties of 2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine?
2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine has a molecular weight of 425.54 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine is sourced from PubChem (CID 118352530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).