(5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone

C25H18INO2 — CID 132560330

IUPAC(5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)ncc(I)c2-c2ccccc2)cc1
InChIInChI=1S/C25H18INO2/c1-29-20-14-12-19(13-15-20)25(28)23-22(17-8-4-2-5-9-17)21(26)16-27-24(23)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyCQNCSXHYAIEKTI-UHFFFAOYSA-N
MW491.33 g/mol
LogP6.26
Rot. Bonds5

About (5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone

(5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone (PubChem CID 132560330) has the molecular formula C25H18INO2 and a molecular weight of 491.33 g/mol. Its IUPAC name is (5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone
PubChem CID132560330
Molecular FormulaC25H18INO2
Molecular Weight491.33 g/mol
Exact Mass491.04
IUPAC Name(5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)ncc(I)c2-c2ccccc2)cc1
InChIInChI=1S/C25H18INO2/c1-29-20-14-12-19(13-15-20)25(28)23-22(17-8-4-2-5-9-17)21(26)16-27-24(23)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyCQNCSXHYAIEKTI-UHFFFAOYSA-N
XLogP6.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.33
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[5-(6-methoxy-3-pyridinyl)-2,4-diphenyl-3-pyridinyl]-phenylmethanone
CID 122372234
(4-methoxyphenyl)-(7-phenyl-[1,3]dioxolo[4,5-g]isoquinolin-8-yl)methanone
CID 11003494
phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone
CID 122372233
(4-methoxyphenyl)-[3-phenyl-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanone
CID 162692086
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile
CID 154708815
N-tert-butyl-6-methoxy-3-phenylisoquinoline-4-carboxamide
CID 102496386
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 58659891

Frequently Asked Questions

What is the IUPAC name of (5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone (CID 132560330) is (5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(-c3ccccc3)ncc(I)c2-c2ccccc2)cc1.
What is the InChIKey of (5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone?
The InChIKey is CQNCSXHYAIEKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18INO2/c1-29-20-14-12-19(13-15-20)25(28)23-22(17-8-4-2-5-9-17)21(26)16-27-24(23)18-10-6-3-7-11-18/h2-16H,1H3.
What are the key properties of (5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone?
(5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone has a molecular weight of 491.33 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-2,4-diphenyl-3-pyridinyl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 132560330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).