3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol

C30H23N3O — CID 162661295

IUPAC3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol
SMILESCc1cc(-c2ncc(-c3cccc(O)c3)cc2/C=C/c2ccccc2)cnc1-c1cccnc1
InChIInChI=1S/C30H23N3O/c1-21-15-27(20-32-29(21)25-10-6-14-31-18-25)30-24(13-12-22-7-3-2-4-8-22)16-26(19-33-30)23-9-5-11-28(34)17-23/h2-20,34H,1H3/b13-12+
InChIKeyGXHWSTTYTIFHSP-OUKQBFOZSA-N
MW441.53 g/mol
LogP7.06
Rot. Bonds5

About 3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol

3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol (PubChem CID 162661295) has the molecular formula C30H23N3O and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol.

Molecular Properties

Compound Name3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol
PubChem CID162661295
Molecular FormulaC30H23N3O
Molecular Weight441.53 g/mol
Exact Mass441.18
IUPAC Name3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol
SMILESCc1cc(-c2ncc(-c3cccc(O)c3)cc2/C=C/c2ccccc2)cnc1-c1cccnc1
InChIInChI=1S/C30H23N3O/c1-21-15-27(20-32-29(21)25-10-6-14-31-18-25)30-24(13-12-22-7-3-2-4-8-22)16-26(19-33-30)23-9-5-11-28(34)17-23/h2-20,34H,1H3/b13-12+
InChIKeyGXHWSTTYTIFHSP-OUKQBFOZSA-N
XLogP7.06
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol?
The IUPAC name of 3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol (CID 162661295) is 3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol.
What is the SMILES notation for 3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol?
The canonical SMILES for 3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol is Cc1cc(-c2ncc(-c3cccc(O)c3)cc2/C=C/c2ccccc2)cnc1-c1cccnc1.
What is the InChIKey of 3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol?
The InChIKey is GXHWSTTYTIFHSP-OUKQBFOZSA-N. The full InChI is InChI=1S/C30H23N3O/c1-21-15-27(20-32-29(21)25-10-6-14-31-18-25)30-24(13-12-22-7-3-2-4-8-22)16-26(19-33-30)23-9-5-11-28(34)17-23/h2-20,34H,1H3/b13-12+.
What are the key properties of 3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol?
3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol has a molecular weight of 441.53 g/mol, XLogP of 7.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(5-methyl-6-pyridin-3-yl-3-pyridinyl)-5-[(E)-2-phenylethenyl]-3-pyridinyl]phenol is sourced from PubChem (CID 162661295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).