4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine

C28H24N2O2 — CID 97104200

IUPAC4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
SMILESCOc1cccc(/C=C\c2ccnc(-c3cc(/C=C\c4cccc(OC)c4)ccn3)c2)c1
InChIInChI=1S/C28H24N2O2/c1-31-25-7-3-5-21(17-25)9-11-23-13-15-29-27(19-23)28-20-24(14-16-30-28)12-10-22-6-4-8-26(18-22)32-2/h3-20H,1-2H3/b11-9-,12-10-
InChIKeySBWREZXAQSZOHI-HWAYABPNSA-N
MW420.51 g/mol
LogP6.50
Rot. Bonds7

About 4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine

4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine (PubChem CID 97104200) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
PubChem CID97104200
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
SMILESCOc1cccc(/C=C\c2ccnc(-c3cc(/C=C\c4cccc(OC)c4)ccn3)c2)c1
InChIInChI=1S/C28H24N2O2/c1-31-25-7-3-5-21(17-25)9-11-23-13-15-29-27(19-23)28-20-24(14-16-30-28)12-10-22-6-4-8-26(18-22)32-2/h3-20H,1-2H3/b11-9-,12-10-
InChIKeySBWREZXAQSZOHI-HWAYABPNSA-N
XLogP6.50
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine?
The IUPAC name of 4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine (CID 97104200) is 4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine is COc1cccc(/C=C\c2ccnc(-c3cc(/C=C\c4cccc(OC)c4)ccn3)c2)c1.
What is the InChIKey of 4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine?
The InChIKey is SBWREZXAQSZOHI-HWAYABPNSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-31-25-7-3-5-21(17-25)9-11-23-13-15-29-27(19-23)28-20-24(14-16-30-28)12-10-22-6-4-8-26(18-22)32-2/h3-20H,1-2H3/b11-9-,12-10-.
What are the key properties of 4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine?
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine has a molecular weight of 420.51 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 97104200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).