9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene

C56H38 — CID 59342681

IUPAC9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(-c5ccccc5)ccc34)c2)cc1
InChIInChI=1S/C56H38/c1-6-18-39(19-7-1)44-30-31-53-54(38-44)56(50-36-47(42-24-12-4-13-25-42)33-48(37-50)43-26-14-5-15-27-43)52-29-17-16-28-51(52)55(53)49-34-45(40-20-8-2-9-21-40)32-46(35-49)41-22-10-3-11-23-41/h1-38H
InChIKeyYVASXGVRJZAIFY-UHFFFAOYSA-N
MW710.92 g/mol
LogP15.66
Rot. Bonds7

About 9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene

9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene (PubChem CID 59342681) has the molecular formula C56H38 and a molecular weight of 710.92 g/mol. Its IUPAC name is 9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene.

Molecular Properties

Compound Name9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
PubChem CID59342681
Molecular FormulaC56H38
Molecular Weight710.92 g/mol
Exact Mass710.30
IUPAC Name9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(-c5ccccc5)ccc34)c2)cc1
InChIInChI=1S/C56H38/c1-6-18-39(19-7-1)44-30-31-53-54(38-44)56(50-36-47(42-24-12-4-13-25-42)33-48(37-50)43-26-14-5-15-27-43)52-29-17-16-28-51(52)55(53)49-34-45(40-20-8-2-9-21-40)32-46(35-49)41-22-10-3-11-23-41/h1-38H
InChIKeyYVASXGVRJZAIFY-UHFFFAOYSA-N
XLogP15.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.92
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene?
The IUPAC name of 9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene (CID 59342681) is 9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene.
What is the SMILES notation for 9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene?
The canonical SMILES for 9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc(-c5ccccc5)ccc34)c2)cc1.
What is the InChIKey of 9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene?
The InChIKey is YVASXGVRJZAIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38/c1-6-18-39(19-7-1)44-30-31-53-54(38-44)56(50-36-47(42-24-12-4-13-25-42)33-48(37-50)43-26-14-5-15-27-43)52-29-17-16-28-51(52)55(53)49-34-45(40-20-8-2-9-21-40)32-46(35-49)41-22-10-3-11-23-41/h1-38H.
What are the key properties of 9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene?
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene has a molecular weight of 710.92 g/mol, XLogP of 15.66, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene is sourced from PubChem (CID 59342681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).