2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one

C36H22O2 — CID 56589911

IUPAC2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one
SMILESO=C1C(c2ccc(C3=C(c4ccccc4)c4ccccc4C3=O)cc2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C36H22O2/c37-35-29-17-9-7-15-27(29)31(23-11-3-1-4-12-23)33(35)25-19-21-26(22-20-25)34-32(24-13-5-2-6-14-24)28-16-8-10-18-30(28)36(34)38/h1-22H
InChIKeyVKJNNNSIZMZBEB-UHFFFAOYSA-N
MW486.57 g/mol
LogP8.00
Rot. Bonds4

About 2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one

2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one (PubChem CID 56589911) has the molecular formula C36H22O2 and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one.

Molecular Properties

Compound Name2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one
PubChem CID56589911
Molecular FormulaC36H22O2
Molecular Weight486.57 g/mol
Exact Mass486.16
IUPAC Name2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one
SMILESO=C1C(c2ccc(C3=C(c4ccccc4)c4ccccc4C3=O)cc2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C36H22O2/c37-35-29-17-9-7-15-27(29)31(23-11-3-1-4-12-23)33(35)25-19-21-26(22-20-25)34-32(24-13-5-2-6-14-24)28-16-8-10-18-30(28)36(34)38/h1-22H
InChIKeyVKJNNNSIZMZBEB-UHFFFAOYSA-N
XLogP8.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-10-[4-(5-phenylindeno[1,2-b]inden-10-yl)phenyl]indeno[2,1-a]indene
CID 177426395
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
2-(4-methylphenyl)-3-[3-(4-methylphenyl)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione
CID 141466102
2-methyl-3-phenylinden-1-one
CID 2750462
5-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one
CID 10125667
2-phenyl-3-(2-phenylethynyl)naphthalene-1,4-dione
CID 11588034
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
CID 141466090
3-bromo-2-phenylazulene-1,5-dione
CID 15195207
2,5-bis(3,4-diphenylphenyl)-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 166446387
2,3-bis(3,4-difluorophenyl)naphthalene-1,4-dione
CID 154722109

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one?
The IUPAC name of 2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one (CID 56589911) is 2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one.
What is the SMILES notation for 2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one?
The canonical SMILES for 2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one is O=C1C(c2ccc(C3=C(c4ccccc4)c4ccccc4C3=O)cc2)=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one?
The InChIKey is VKJNNNSIZMZBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22O2/c37-35-29-17-9-7-15-27(29)31(23-11-3-1-4-12-23)33(35)25-19-21-26(22-20-25)34-32(24-13-5-2-6-14-24)28-16-8-10-18-30(28)36(34)38/h1-22H.
What are the key properties of 2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one?
2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one has a molecular weight of 486.57 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one is sourced from PubChem (CID 56589911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).