(E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one

C51H36O — CID 102120513

IUPAC(E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1-c1cccc(-c2cccc(-c3ccccc3)c2)c1)c1ccccc1-c1cccc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C51H36O/c52-51(50-30-10-9-29-49(50)47-27-14-25-45(36-47)43-23-12-21-41(34-43)38-17-5-2-6-18-38)32-31-39-19-7-8-28-48(39)46-26-13-24-44(35-46)42-22-11-20-40(33-42)37-15-3-1-4-16-37/h1-36H/b32-31+
InChIKeyYMUKSHJFBKCRSI-QNEJGDQOSA-N
MW664.85 g/mol
LogP13.58
Rot. Bonds9

About (E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one

(E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one (PubChem CID 102120513) has the molecular formula C51H36O and a molecular weight of 664.85 g/mol. Its IUPAC name is (E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one
PubChem CID102120513
Molecular FormulaC51H36O
Molecular Weight664.85 g/mol
Exact Mass664.28
IUPAC Name(E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1-c1cccc(-c2cccc(-c3ccccc3)c2)c1)c1ccccc1-c1cccc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C51H36O/c52-51(50-30-10-9-29-49(50)47-27-14-25-45(36-47)43-23-12-21-41(34-43)38-17-5-2-6-18-38)32-31-39-19-7-8-28-48(39)46-26-13-24-44(35-46)42-22-11-20-40(33-42)37-15-3-1-4-16-37/h1-36H/b32-31+
InChIKeyYMUKSHJFBKCRSI-QNEJGDQOSA-N
XLogP13.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-(2-phenylphenyl)prop-2-enoic acid
CID 19261531
(E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid
CID 22990266
sodium (E)-3-(2-phenylphenyl)prop-2-enoate
CID 171935641
(E)-3-[2-(3-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872377
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429
(E)-3-[5-[(E)-3-[2-(3-fluorophenyl)phenyl]-3-oxoprop-1-enyl]-2-methoxyphenyl]prop-2-enoic acid
CID 175386255
(E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide
CID 170877618
(E)-1-(3,4-dimethoxyphenyl)-3-(2-phenylphenyl)prop-2-en-1-one
CID 175745581
(E)-1-[2-(3-fluorophenyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 118725316
3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5175101
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
1-phenyl-2-[(E)-2-(2-phenylphenyl)ethenyl]benzene
CID 13307769

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one (CID 102120513) is (E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one is O=C(/C=C/c1ccccc1-c1cccc(-c2cccc(-c3ccccc3)c2)c1)c1ccccc1-c1cccc(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of (E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one?
The InChIKey is YMUKSHJFBKCRSI-QNEJGDQOSA-N. The full InChI is InChI=1S/C51H36O/c52-51(50-30-10-9-29-49(50)47-27-14-25-45(36-47)43-23-12-21-41(34-43)38-17-5-2-6-18-38)32-31-39-19-7-8-28-48(39)46-26-13-24-44(35-46)42-22-11-20-40(33-42)37-15-3-1-4-16-37/h1-36H/b32-31+.
What are the key properties of (E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one?
(E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one has a molecular weight of 664.85 g/mol, XLogP of 13.58, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]prop-2-en-1-one is sourced from PubChem (CID 102120513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).