tetrakis(pyridine);1,2,2-triphenylethenylbenzene

C46H40N4 — CID 175604996

IUPACtetrakis(pyridine);1,2,2-triphenylethenylbenzene
SMILESc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C26H20.4C5H5N/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;4*1-2-4-6-5-3-1/h1-20H;4*1-5H
InChIKeyJBOUMUNCIQRARH-UHFFFAOYSA-N
MW648.85 g/mol
LogP11.02
Rot. Bonds4

About tetrakis(pyridine);1,2,2-triphenylethenylbenzene

tetrakis(pyridine);1,2,2-triphenylethenylbenzene (PubChem CID 175604996) has the molecular formula C46H40N4 and a molecular weight of 648.85 g/mol. Its IUPAC name is tetrakis(pyridine);1,2,2-triphenylethenylbenzene.

Molecular Properties

Compound Nametetrakis(pyridine);1,2,2-triphenylethenylbenzene
PubChem CID175604996
Molecular FormulaC46H40N4
Molecular Weight648.85 g/mol
Exact Mass648.33
IUPAC Nametetrakis(pyridine);1,2,2-triphenylethenylbenzene
SMILESc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C26H20.4C5H5N/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;4*1-2-4-6-5-3-1/h1-20H;4*1-5H
InChIKeyJBOUMUNCIQRARH-UHFFFAOYSA-N
XLogP11.02
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.85
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

boric acid;pyridine;1,2,2-triphenylethenylbenzene
CID 158859997
4-[4-[(Z)-1,2-diphenyl-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
CID 172894351
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
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
1,5-diazecine
CID 53440348
pyridine
CID 160878650
phenol;1,2,2-triphenylethenylbenzene
CID 159416986
pyridine
CID 67755510
CID 87937782
CID 87937782

Frequently Asked Questions

What is the IUPAC name of tetrakis(pyridine);1,2,2-triphenylethenylbenzene?
The IUPAC name of tetrakis(pyridine);1,2,2-triphenylethenylbenzene (CID 175604996) is tetrakis(pyridine);1,2,2-triphenylethenylbenzene.
What is the SMILES notation for tetrakis(pyridine);1,2,2-triphenylethenylbenzene?
The canonical SMILES for tetrakis(pyridine);1,2,2-triphenylethenylbenzene is c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of tetrakis(pyridine);1,2,2-triphenylethenylbenzene?
The InChIKey is JBOUMUNCIQRARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20.4C5H5N/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;4*1-2-4-6-5-3-1/h1-20H;4*1-5H.
What are the key properties of tetrakis(pyridine);1,2,2-triphenylethenylbenzene?
tetrakis(pyridine);1,2,2-triphenylethenylbenzene has a molecular weight of 648.85 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(pyridine);1,2,2-triphenylethenylbenzene is sourced from PubChem (CID 175604996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).