(Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione

C28H20O2 — CID 5355553

IUPAC(Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione
SMILESO=C(/C(=C(\C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20O2/c29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30)24-19-11-4-12-20-24/h1-20H/b26-25-
InChIKeyBNSSPRIZPRPVAS-QPLCGJKRSA-N
MW388.47 g/mol
LogP6.36
Rot. Bonds6

About (Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione

(Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione (PubChem CID 5355553) has the molecular formula C28H20O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione.

Molecular Properties

Compound Name(Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione
PubChem CID5355553
Molecular FormulaC28H20O2
Molecular Weight388.47 g/mol
Exact Mass388.15
IUPAC Name(Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione
SMILESO=C(/C(=C(\C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20O2/c29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30)24-19-11-4-12-20-24/h1-20H/b26-25-
InChIKeyBNSSPRIZPRPVAS-QPLCGJKRSA-N
XLogP6.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Benzophenone
CID 3102
9,10-Phenanthrenedione
CID 6763
Chalcone
CID 637760
Dibenzoylmethane
CID 8433
Benzanthrone
CID 6697
Benzil
CID 8651
Cyclohexyl phenyl ketone
CID 12837
4,4'-Difluorobenzophenone
CID 9582
2-Phenylacetophenone
CID 9948
5H-Dibenzo[a,d]cyclohepten-5-one
CID 16679
Dibenzo(b,def)chrysene-7,14-dione
CID 31412
Benz(a)anthracene-7,12-dione
CID 17253

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione?
The IUPAC name of (Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione (CID 5355553) is (Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione.
What is the SMILES notation for (Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione?
The canonical SMILES for (Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione is O=C(/C(=C(\C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione?
The InChIKey is BNSSPRIZPRPVAS-QPLCGJKRSA-N. The full InChI is InChI=1S/C28H20O2/c29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30)24-19-11-4-12-20-24/h1-20H/b26-25-.
What are the key properties of (Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione?
(Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione has a molecular weight of 388.47 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2,3,4-tetraphenylbut-2-ene-1,4-dione is sourced from PubChem (CID 5355553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).