phenol;1,2,2-triphenylethenylbenzene

C32H26O — CID 159416986

IUPACphenol;1,2,2-triphenylethenylbenzene
SMILESOc1ccccc1.c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H20.C6H6O/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;7-6-4-2-1-3-5-6/h1-20H;1-5,7H
InChIKeyLPGZIQWRRXVCGY-UHFFFAOYSA-N
MW426.56 g/mol
LogP8.09
Rot. Bonds4

About phenol;1,2,2-triphenylethenylbenzene

phenol;1,2,2-triphenylethenylbenzene (PubChem CID 159416986) has the molecular formula C32H26O and a molecular weight of 426.56 g/mol. Its IUPAC name is phenol;1,2,2-triphenylethenylbenzene.

Molecular Properties

Compound Namephenol;1,2,2-triphenylethenylbenzene
PubChem CID159416986
Molecular FormulaC32H26O
Molecular Weight426.56 g/mol
Exact Mass426.20
IUPAC Namephenol;1,2,2-triphenylethenylbenzene
SMILESOc1ccccc1.c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H20.C6H6O/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;7-6-4-2-1-3-5-6/h1-20H;1-5,7H
InChIKeyLPGZIQWRRXVCGY-UHFFFAOYSA-N
XLogP8.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
CID 67882804
CID 67882804
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol
CID 141454768
neodymium;phenol
CID 154361260
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
argon;phenol
CID 159678450
molybdenum;phenol
CID 154246724
phenol;tantalum
CID 19915613
phenol;titanium(2+)
CID 23042599
CID 159904044
CID 159904044

Frequently Asked Questions

What is the IUPAC name of phenol;1,2,2-triphenylethenylbenzene?
The IUPAC name of phenol;1,2,2-triphenylethenylbenzene (CID 159416986) is phenol;1,2,2-triphenylethenylbenzene.
What is the SMILES notation for phenol;1,2,2-triphenylethenylbenzene?
The canonical SMILES for phenol;1,2,2-triphenylethenylbenzene is Oc1ccccc1.c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of phenol;1,2,2-triphenylethenylbenzene?
The InChIKey is LPGZIQWRRXVCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20.C6H6O/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;7-6-4-2-1-3-5-6/h1-20H;1-5,7H.
What are the key properties of phenol;1,2,2-triphenylethenylbenzene?
phenol;1,2,2-triphenylethenylbenzene has a molecular weight of 426.56 g/mol, XLogP of 8.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;1,2,2-triphenylethenylbenzene is sourced from PubChem (CID 159416986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).