[5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone

C30H22N2O2 — CID 122372234

IUPAC[5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone
SMILESCOc1ccc(-c2cnc(-c3ccccc3)c(C(=O)c3ccccc3)c2-c2ccccc2)cn1
InChIInChI=1S/C30H22N2O2/c1-34-26-18-17-24(19-31-26)25-20-32-29(22-13-7-3-8-14-22)28(27(25)21-11-5-2-6-12-21)30(33)23-15-9-4-10-16-23/h2-20H,1H3
InChIKeyXZZNFVBZSYQYRY-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.72
Rot. Bonds6

About [5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone

[5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone (PubChem CID 122372234) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is [5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone
PubChem CID122372234
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Name[5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone
SMILESCOc1ccc(-c2cnc(-c3ccccc3)c(C(=O)c3ccccc3)c2-c2ccccc2)cn1
InChIInChI=1S/C30H22N2O2/c1-34-26-18-17-24(19-31-26)25-20-32-29(22-13-7-3-8-14-22)28(27(25)21-11-5-2-6-12-21)30(33)23-15-9-4-10-16-23/h2-20H,1H3
InChIKeyXZZNFVBZSYQYRY-UHFFFAOYSA-N
XLogP6.72
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone?
The IUPAC name of [5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone (CID 122372234) is [5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone.
What is the SMILES notation for [5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone?
The canonical SMILES for [5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone is COc1ccc(-c2cnc(-c3ccccc3)c(C(=O)c3ccccc3)c2-c2ccccc2)cn1.
What is the InChIKey of [5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone?
The InChIKey is XZZNFVBZSYQYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c1-34-26-18-17-24(19-31-26)25-20-32-29(22-13-7-3-8-14-22)28(27(25)21-11-5-2-6-12-21)30(33)23-15-9-4-10-16-23/h2-20H,1H3.
What are the key properties of [5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone?
[5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone has a molecular weight of 442.52 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone is sourced from PubChem (CID 122372234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).