4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine)

C32H26Cl2N2O2 — CID 139204780

IUPAC4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine)
SMILESC(=C/c1ccncc1)\c1ccccc1.C(=C/c1ccncc1)\c1ccccc1.Oc1cc(O)c(Cl)cc1Cl
InChIInChI=1S/2C13H11N.C6H4Cl2O2/c2*1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;7-3-1-4(8)6(10)2-5(3)9/h2*1-11H;1-2,9-10H/b2*7-6+;
InChIKeyCLCHAFGSRXSRPD-RWUXNGIBSA-N
MW541.48 g/mol
LogP8.91
Rot. Bonds4

About 4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine)

4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine) (PubChem CID 139204780) has the molecular formula C32H26Cl2N2O2 and a molecular weight of 541.48 g/mol. Its IUPAC name is 4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine).

Molecular Properties

Compound Name4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine)
PubChem CID139204780
Molecular FormulaC32H26Cl2N2O2
Molecular Weight541.48 g/mol
Exact Mass540.14
IUPAC Name4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine)
SMILESC(=C/c1ccncc1)\c1ccccc1.C(=C/c1ccncc1)\c1ccccc1.Oc1cc(O)c(Cl)cc1Cl
InChIInChI=1S/2C13H11N.C6H4Cl2O2/c2*1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;7-3-1-4(8)6(10)2-5(3)9/h2*1-11H;1-2,9-10H/b2*7-6+;
InChIKeyCLCHAFGSRXSRPD-RWUXNGIBSA-N
XLogP8.91
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.48
LogP ≤ 58.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chlorobenzene-1,3-diol;4-(2-pyridin-4-ylethyl)pyridine
CID 139040109
4,6-Dichlorobenzene-1,3-diol;2-pyridin-2-ylpyridine
CID 139041169
4,6-Dichlorobenzene-1,3-diol;bis(pyridine)
CID 139041170
4-Pyridylazophenyl 4,6-dichloro-1,3-benzenediol
CID 139045375
1-(2-chlorobenzyl)-4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridinium chloride hemihydrate
CID 139060434
Bis(4-phenyl-pyridine) phloroglucinol
CID 139064569
bis(2,4-dichlorobenzaldehyde 2-hydroxybenzoylhydrazonato-kappa^2^N,O)bis(pyridine-kappaN)cobalt(II)
CID 139071627
[N'-(5-Chloro-2-oxidobenzyl-kappaO)-2,4-dihydroxybenzohydrazidato-kappa^2^N',O](methanol-kappaO)dioxidomolybdenum(VI)-4,4'-bipyridine (1/1)
CID 139081248
1,1'-Biphenyl;bis(2-chlorobenzene-1,3-diol);4-(2-pyridin-4-ylethyl)pyridine;2,3,5,6-tetramethylpyrazine
CID 139125979
2-Chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1-adamantyl]phenol;4-pyridin-4-ylpyridine
CID 139146374
4-benzylbenzene-1,3-diol;4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
CID 139180734
4,6-Dichlorobenzene-1,3-diol;dipyridin-4-yldiazene
CID 139202653

Frequently Asked Questions

What is the IUPAC name of 4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine)?
The IUPAC name of 4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine) (CID 139204780) is 4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine).
What is the SMILES notation for 4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine)?
The canonical SMILES for 4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine) is C(=C/c1ccncc1)\c1ccccc1.C(=C/c1ccncc1)\c1ccccc1.Oc1cc(O)c(Cl)cc1Cl.
What is the InChIKey of 4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine)?
The InChIKey is CLCHAFGSRXSRPD-RWUXNGIBSA-N. The full InChI is InChI=1S/2C13H11N.C6H4Cl2O2/c2*1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;7-3-1-4(8)6(10)2-5(3)9/h2*1-11H;1-2,9-10H/b2*7-6+;.
What are the key properties of 4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine)?
4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine) has a molecular weight of 541.48 g/mol, XLogP of 8.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichlorobenzene-1,3-diol;bis(4-[(E)-2-phenylethenyl]pyridine) is sourced from PubChem (CID 139204780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).