boric acid;pyridine;1,2,2-triphenylethenylbenzene

C31H28BNO3 — CID 158859997

IUPACboric acid;pyridine;1,2,2-triphenylethenylbenzene
SMILESOB(O)O.c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccncc1
InChIInChI=1S/C26H20.C5H5N.BH3O3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-4-6-5-3-1;2-1(3)4/h1-20H;1-5H;2-4H
InChIKeyJANOCKPGSDDKIF-UHFFFAOYSA-N
MW473.38 g/mol
LogP5.72
Rot. Bonds4

About boric acid;pyridine;1,2,2-triphenylethenylbenzene

boric acid;pyridine;1,2,2-triphenylethenylbenzene (PubChem CID 158859997) has the molecular formula C31H28BNO3 and a molecular weight of 473.38 g/mol. Its IUPAC name is boric acid;pyridine;1,2,2-triphenylethenylbenzene.

Molecular Properties

Compound Nameboric acid;pyridine;1,2,2-triphenylethenylbenzene
PubChem CID158859997
Molecular FormulaC31H28BNO3
Molecular Weight473.38 g/mol
Exact Mass473.22
IUPAC Nameboric acid;pyridine;1,2,2-triphenylethenylbenzene
SMILESOB(O)O.c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccncc1
InChIInChI=1S/C26H20.C5H5N.BH3O3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-4-6-5-3-1;2-1(3)4/h1-20H;1-5H;2-4H
InChIKeyJANOCKPGSDDKIF-UHFFFAOYSA-N
XLogP5.72
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.38
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(pyridine);1,2,2-triphenylethenylbenzene
CID 175604996
boric acid;pyridine
CID 157289203
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CID 172894351
lithium;boric acid;hydride;pyridine
CID 173095050
phenylboronic acid;pyridine
CID 160947714
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
CID 67882804
CID 67882804
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]pyridine
CID 102493364
isoquinoline;1,2,2-triphenylethenylbenzene
CID 159280629
phenol;1,2,2-triphenylethenylbenzene
CID 159416986
pyridine
CID 160878650

Frequently Asked Questions

What is the IUPAC name of boric acid;pyridine;1,2,2-triphenylethenylbenzene?
The IUPAC name of boric acid;pyridine;1,2,2-triphenylethenylbenzene (CID 158859997) is boric acid;pyridine;1,2,2-triphenylethenylbenzene.
What is the SMILES notation for boric acid;pyridine;1,2,2-triphenylethenylbenzene?
The canonical SMILES for boric acid;pyridine;1,2,2-triphenylethenylbenzene is OB(O)O.c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccncc1.
What is the InChIKey of boric acid;pyridine;1,2,2-triphenylethenylbenzene?
The InChIKey is JANOCKPGSDDKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20.C5H5N.BH3O3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-4-6-5-3-1;2-1(3)4/h1-20H;1-5H;2-4H.
What are the key properties of boric acid;pyridine;1,2,2-triphenylethenylbenzene?
boric acid;pyridine;1,2,2-triphenylethenylbenzene has a molecular weight of 473.38 g/mol, XLogP of 5.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;pyridine;1,2,2-triphenylethenylbenzene is sourced from PubChem (CID 158859997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).