2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol

C37H30O — CID 54155486

IUPAC2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol
SMILESOc1ccccc1C(C=Cc1ccccc1)(C=Cc1ccccc1)c1ccccc1C=Cc1ccccc1
InChIInChI=1S/C37H30O/c38-36-23-13-12-22-35(36)37(28-26-31-16-6-2-7-17-31,29-27-32-18-8-3-9-19-32)34-21-11-10-20-33(34)25-24-30-14-4-1-5-15-30/h1-29,38H
InChIKeyOKTHDIGMMBWVTL-UHFFFAOYSA-N
MW490.65 g/mol
LogP9.28
Rot. Bonds8

About 2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol

2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol (PubChem CID 54155486) has the molecular formula C37H30O and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol.

Molecular Properties

Compound Name2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol
PubChem CID54155486
Molecular FormulaC37H30O
Molecular Weight490.65 g/mol
Exact Mass490.23
IUPAC Name2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol
SMILESOc1ccccc1C(C=Cc1ccccc1)(C=Cc1ccccc1)c1ccccc1C=Cc1ccccc1
InChIInChI=1S/C37H30O/c38-36-23-13-12-22-35(36)37(28-26-31-16-6-2-7-17-31,29-27-32-18-8-3-9-19-32)34-21-11-10-20-33(34)25-24-30-14-4-1-5-15-30/h1-29,38H
InChIKeyOKTHDIGMMBWVTL-UHFFFAOYSA-N
XLogP9.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 59.28
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

2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol
CID 166436804
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
2-(2-phenylethenyl)phenol;phosphoric acid
CID 67814298
2-chloro-3-(2-phenylethenyl)phenol
CID 70555314
2-ethenylphenol;2-phenylethenol
CID 67103085
[2-[(E)-2-phenylethenyl]phenyl]methanediol
CID 23212079
2-[(E)-2-isocyanoethenyl]-3-[(E)-2-phenylethenyl]phenol
CID 175848025
tetrakis[2-[(E)-2-phenylethenyl]phenyl]silane
CID 22630526
1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene
CID 20571999
2-(2-phenylethenyl)benzene-1,4-diol
CID 54196246
2-methyl-6-[(E)-2-phenylethenyl]phenol
CID 22713146
CID 172791684
CID 172791684

Frequently Asked Questions

What is the IUPAC name of 2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol?
The IUPAC name of 2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol (CID 54155486) is 2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol.
What is the SMILES notation for 2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol?
The canonical SMILES for 2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol is Oc1ccccc1C(C=Cc1ccccc1)(C=Cc1ccccc1)c1ccccc1C=Cc1ccccc1.
What is the InChIKey of 2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol?
The InChIKey is OKTHDIGMMBWVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30O/c38-36-23-13-12-22-35(36)37(28-26-31-16-6-2-7-17-31,29-27-32-18-8-3-9-19-32)34-21-11-10-20-33(34)25-24-30-14-4-1-5-15-30/h1-29,38H.
What are the key properties of 2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol?
2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol has a molecular weight of 490.65 g/mol, XLogP of 9.28, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-diphenyl-3-[2-(2-phenylethenyl)phenyl]penta-1,4-dien-3-yl]phenol is sourced from PubChem (CID 54155486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).