9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene

C44H30 — CID 59398961

IUPAC9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)c2)cc1
InChIInChI=1S/C44H30/c1-4-15-31(16-5-1)34-21-14-22-35(27-34)43-39-23-10-12-25-41(39)44(42-26-13-11-24-40(42)43)38-29-36(32-17-6-2-7-18-32)28-37(30-38)33-19-8-3-9-20-33/h1-30H
InChIKeyGZQKLHSCLLEUEM-UHFFFAOYSA-N
MW558.72 g/mol
LogP12.33
Rot. Bonds5

About 9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene

9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene (PubChem CID 59398961) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
PubChem CID59398961
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)c2)cc1
InChIInChI=1S/C44H30/c1-4-15-31(16-5-1)34-21-14-22-35(27-34)43-39-23-10-12-25-41(39)44(42-26-13-11-24-40(42)43)38-29-36(32-17-6-2-7-18-32)28-37(30-38)33-19-8-3-9-20-33/h1-30H
InChIKeyGZQKLHSCLLEUEM-UHFFFAOYSA-N
XLogP12.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 512.33
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

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
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
9-methyl-10-(3-phenylphenyl)anthracene
CID 58599979
CID 143321545
CID 143321545

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene?
The IUPAC name of 9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene (CID 59398961) is 9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene.
What is the SMILES notation for 9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene?
The canonical SMILES for 9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)c2)cc1.
What is the InChIKey of 9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene?
The InChIKey is GZQKLHSCLLEUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-4-15-31(16-5-1)34-21-14-22-35(27-34)43-39-23-10-12-25-41(39)44(42-26-13-11-24-40(42)43)38-29-36(32-17-6-2-7-18-32)28-37(30-38)33-19-8-3-9-20-33/h1-30H.
What are the key properties of 9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene?
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene has a molecular weight of 558.72 g/mol, XLogP of 12.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene is sourced from PubChem (CID 59398961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).