9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene

C44H30 — CID 164706372

IUPAC9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H30/c1-4-14-31(15-5-1)32-24-26-35(27-25-32)43-38-20-10-12-22-40(38)44(41-23-13-11-21-39(41)43)36-28-29-37(33-16-6-2-7-17-33)42(30-36)34-18-8-3-9-19-34/h1-30H
InChIKeyFELAPUBDJLIMKX-UHFFFAOYSA-N
MW558.72 g/mol
LogP12.33
Rot. Bonds5

About 9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene

9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene (PubChem CID 164706372) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
PubChem CID164706372
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C44H30/c1-4-14-31(15-5-1)32-24-26-35(27-25-32)43-38-20-10-12-22-40(38)44(41-23-13-11-21-39(41)43)36-28-29-37(33-16-6-2-7-17-33)42(30-36)34-18-8-3-9-19-34/h1-30H
InChIKeyFELAPUBDJLIMKX-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 9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene?
The IUPAC name of 9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene (CID 164706372) is 9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene.
What is the SMILES notation for 9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene?
The canonical SMILES for 9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4ccccc34)cc2)cc1.
What is the InChIKey of 9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene?
The InChIKey is FELAPUBDJLIMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-4-14-31(15-5-1)32-24-26-35(27-25-32)43-38-20-10-12-22-40(38)44(41-23-13-11-21-39(41)43)36-28-29-37(33-16-6-2-7-17-33)42(30-36)34-18-8-3-9-19-34/h1-30H.
What are the key properties of 9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene?
9-(3,4-diphenylphenyl)-10-(4-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-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene is sourced from PubChem (CID 164706372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).