9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene

C52H36 — CID 59459841

IUPAC9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C52H36/c1-5-17-38(18-6-1)43-33-34-48(50(36-43)41-23-11-4-12-24-41)52-46-27-15-13-25-44(46)51(45-26-14-16-28-47(45)52)42-31-29-37(30-32-42)35-49(39-19-7-2-8-20-39)40-21-9-3-10-22-40/h1-36H
InChIKeyVPULFJPFTFLKLS-UHFFFAOYSA-N
MW660.86 g/mol
LogP14.25
Rot. Bonds7

About 9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene

9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene (PubChem CID 59459841) has the molecular formula C52H36 and a molecular weight of 660.86 g/mol. Its IUPAC name is 9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene.

Molecular Properties

Compound Name9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene
PubChem CID59459841
Molecular FormulaC52H36
Molecular Weight660.86 g/mol
Exact Mass660.28
IUPAC Name9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C52H36/c1-5-17-38(18-6-1)43-33-34-48(50(36-43)41-23-11-4-12-24-41)52-46-27-15-13-25-44(46)51(45-26-14-16-28-47(45)52)42-31-29-37(30-32-42)35-49(39-19-7-2-8-20-39)40-21-9-3-10-22-40/h1-36H
InChIKeyVPULFJPFTFLKLS-UHFFFAOYSA-N
XLogP14.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 58814327
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene
CID 158494908
4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline
CID 23067335
5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene
CID 21043375
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene
CID 161350530
9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2,6-diphenylanthracene;9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-phenylanthracene;2-tert-butyl-9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;2-tert-butyl-9,10-bis[3-(2,2-diphenylethenyl)-5-phenylphenyl]anthracene
CID 165052647
triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane
CID 20724631
CID 158869194
CID 158869194
5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene
CID 162258725
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene?
The IUPAC name of 9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene (CID 59459841) is 9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene.
What is the SMILES notation for 9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene?
The canonical SMILES for 9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene is C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene?
The InChIKey is VPULFJPFTFLKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36/c1-5-17-38(18-6-1)43-33-34-48(50(36-43)41-23-11-4-12-24-41)52-46-27-15-13-25-44(46)51(45-26-14-16-28-47(45)52)42-31-29-37(30-32-42)35-49(39-19-7-2-8-20-39)40-21-9-3-10-22-40/h1-36H.
What are the key properties of 9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene?
9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene has a molecular weight of 660.86 g/mol, XLogP of 14.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene is sourced from PubChem (CID 59459841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).