4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one

C30H23NO2 — CID 10741243

IUPAC4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one
SMILESCOc1ccc(N2C(c3ccccc3)=CC(c3ccccc3)=CC2=C2C=CC(=O)C=C2)cc1
InChIInChI=1S/C30H23NO2/c1-33-28-18-14-26(15-19-28)31-29(23-10-6-3-7-11-23)20-25(22-8-4-2-5-9-22)21-30(31)24-12-16-27(32)17-13-24/h2-21H,1H3
InChIKeyORQNDSDEEZUCHJ-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.59
Rot. Bonds4

About 4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one

4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one (PubChem CID 10741243) has the molecular formula C30H23NO2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one
PubChem CID10741243
Molecular FormulaC30H23NO2
Molecular Weight429.52 g/mol
Exact Mass429.17
IUPAC Name4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one
SMILESCOc1ccc(N2C(c3ccccc3)=CC(c3ccccc3)=CC2=C2C=CC(=O)C=C2)cc1
InChIInChI=1S/C30H23NO2/c1-33-28-18-14-26(15-19-28)31-29(23-10-6-3-7-11-23)20-25(22-8-4-2-5-9-22)21-30(31)24-12-16-27(32)17-13-24/h2-21H,1H3
InChIKeyORQNDSDEEZUCHJ-UHFFFAOYSA-N
XLogP6.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one (CID 10741243) is 4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one is COc1ccc(N2C(c3ccccc3)=CC(c3ccccc3)=CC2=C2C=CC(=O)C=C2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is ORQNDSDEEZUCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23NO2/c1-33-28-18-14-26(15-19-28)31-29(23-10-6-3-7-11-23)20-25(22-8-4-2-5-9-22)21-30(31)24-12-16-27(32)17-13-24/h2-21H,1H3.
What are the key properties of 4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one?
4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 429.52 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)-4,6-diphenyl-2-pyridinylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 10741243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).