2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene

C44H30 — CID 158302450

IUPAC2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccc(-c5ccccc5)cc34)c2)cc1
InChIInChI=1S/C44H30/c1-4-15-31(16-5-1)34-21-14-22-36(29-34)43-39-25-12-13-26-40(39)44(38-24-11-10-23-37(38)33-19-8-3-9-20-33)41-28-27-35(30-42(41)43)32-17-6-2-7-18-32/h1-30H
InChIKeyHNXZKXGWCVHEHO-UHFFFAOYSA-N
MW558.72 g/mol
LogP12.33
Rot. Bonds5

About 2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene

2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene (PubChem CID 158302450) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
PubChem CID158302450
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccc(-c5ccccc5)cc34)c2)cc1
InChIInChI=1S/C44H30/c1-4-15-31(16-5-1)34-21-14-22-36(29-34)43-39-25-12-13-26-40(39)44(38-24-11-10-23-37(38)33-19-8-3-9-20-33)41-28-27-35(30-42(41)43)32-17-6-2-7-18-32/h1-30H
InChIKeyHNXZKXGWCVHEHO-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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene?
The IUPAC name of 2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene (CID 158302450) is 2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene.
What is the SMILES notation for 2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene?
The canonical SMILES for 2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccc(-c5ccccc5)cc34)c2)cc1.
What is the InChIKey of 2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene?
The InChIKey is HNXZKXGWCVHEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-4-15-31(16-5-1)34-21-14-22-36(29-34)43-39-25-12-13-26-40(39)44(38-24-11-10-23-37(38)33-19-8-3-9-20-33)41-28-27-35(30-42(41)43)32-17-6-2-7-18-32/h1-30H.
What are the key properties of 2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene?
2-phenyl-10-(2-phenylphenyl)-9-(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 2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene is sourced from PubChem (CID 158302450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).