4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine

C29H21I2N3O2 — CID 139037237

IUPAC4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine
SMILESC(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)\c1ccccc1.Oc1cc(O)c(I)cc1I
InChIInChI=1S/C23H17N3.C6H4I2O2/c1-2-8-18(9-3-1)12-13-19-16-22(20-10-4-6-14-24-20)26-23(17-19)21-11-5-7-15-25-21;7-3-1-4(8)6(10)2-5(3)9/h1-17H;1-2,9-10H/b13-12+;
InChIKeySUENKSFFSWGHJP-UEIGIMKUSA-N
MW697.31 g/mol
LogP7.68
Rot. Bonds4

About 4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine

4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 139037237) has the molecular formula C29H21I2N3O2 and a molecular weight of 697.31 g/mol. Its IUPAC name is 4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID139037237
Molecular FormulaC29H21I2N3O2
Molecular Weight697.31 g/mol
Exact Mass696.97
IUPAC Name4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine
SMILESC(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)\c1ccccc1.Oc1cc(O)c(I)cc1I
InChIInChI=1S/C23H17N3.C6H4I2O2/c1-2-8-18(9-3-1)12-13-19-16-22(20-10-4-6-14-24-20)26-23(17-19)21-11-5-7-15-25-21;7-3-1-4(8)6(10)2-5(3)9/h1-17H;1-2,9-10H/b13-12+;
InChIKeySUENKSFFSWGHJP-UEIGIMKUSA-N
XLogP7.68
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.31
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine with MolForge

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Related Compounds

3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044
3-[3-methyl-5-[3-[(E)-2-phenylethenyl]-5-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]phenol
CID 118352515
4-(4-Phenyl-6-pyridin-3-yl-2-pyridinyl)phenol
CID 136086714
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
2-[[3-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 44532524
3-[6-(3-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 122179982
2-[6-(3-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036
4-[6-(4-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091039
2-[6-(3-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091041

Frequently Asked Questions

What is the IUPAC name of 4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine (CID 139037237) is 4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine is C(=C/c1cc(-c2ccccn2)nc(-c2ccccn2)c1)\c1ccccc1.Oc1cc(O)c(I)cc1I.
What is the InChIKey of 4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is SUENKSFFSWGHJP-UEIGIMKUSA-N. The full InChI is InChI=1S/C23H17N3.C6H4I2O2/c1-2-8-18(9-3-1)12-13-19-16-22(20-10-4-6-14-24-20)26-23(17-19)21-11-5-7-15-25-21;7-3-1-4(8)6(10)2-5(3)9/h1-17H;1-2,9-10H/b13-12+;.
What are the key properties of 4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine?
4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 697.31 g/mol, XLogP of 7.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diiodobenzene-1,3-diol;4-[(E)-2-phenylethenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 139037237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).