2,6,9-tris(3-phenylphenyl)anthracene

C50H34 — CID 143896794

IUPAC2,6,9-tris(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3ccc4c(-c5cccc(-c6ccccc6)c5)c5cc(-c6cccc(-c7ccccc7)c6)ccc5cc4c3)c2)cc1
InChIInChI=1S/C50H34/c1-4-13-35(14-5-1)38-19-10-22-41(29-38)43-27-28-48-47(32-43)33-45-26-25-44(42-23-11-20-39(30-42)36-15-6-2-7-16-36)34-49(45)50(48)46-24-12-21-40(31-46)37-17-8-3-9-18-37/h1-34H
InChIKeyRBVYNWKZMAJKMV-UHFFFAOYSA-N
MW634.82 g/mol
LogP13.99
Rot. Bonds6

About 2,6,9-tris(3-phenylphenyl)anthracene

2,6,9-tris(3-phenylphenyl)anthracene (PubChem CID 143896794) has the molecular formula C50H34 and a molecular weight of 634.82 g/mol. Its IUPAC name is 2,6,9-tris(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name2,6,9-tris(3-phenylphenyl)anthracene
PubChem CID143896794
Molecular FormulaC50H34
Molecular Weight634.82 g/mol
Exact Mass634.27
IUPAC Name2,6,9-tris(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3ccc4c(-c5cccc(-c6ccccc6)c5)c5cc(-c6cccc(-c7ccccc7)c6)ccc5cc4c3)c2)cc1
InChIInChI=1S/C50H34/c1-4-13-35(14-5-1)38-19-10-22-41(29-38)43-27-28-48-47(32-43)33-45-26-25-44(42-23-11-20-39(30-42)36-15-6-2-7-16-36)34-49(45)50(48)46-24-12-21-40(31-46)37-17-8-3-9-18-37/h1-34H
InChIKeyRBVYNWKZMAJKMV-UHFFFAOYSA-N
XLogP13.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.82
LogP ≤ 513.99
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-phenanthren-2-yl-2,6-bis(3-phenanthren-2-ylphenyl)anthracene
CID 143896847
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
2-[10-[7-(3-phenylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123307782
9-(3-methylphenyl)-2,7-diphenylanthracene
CID 142700269
9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706350
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
7-(3,5-dinaphthalen-2-ylphenyl)benzo[a]anthracene;7-(3-naphthalen-2-ylphenyl)benzo[a]anthracene;7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[a]anthracene;7-(3-naphthalen-2-yl-5-phenylphenyl)benzo[a]anthracene
CID 158288300
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9-phenyl-10-[6-(3-phenylphenyl)-8-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837476
2,6-dinaphthalen-1-yl-9-phenanthren-2-ylanthracene
CID 143896786
9-phenyl-10-[6-(4-phenylphenyl)-8-[4-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837417
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539

Frequently Asked Questions

What is the IUPAC name of 2,6,9-tris(3-phenylphenyl)anthracene?
The IUPAC name of 2,6,9-tris(3-phenylphenyl)anthracene (CID 143896794) is 2,6,9-tris(3-phenylphenyl)anthracene.
What is the SMILES notation for 2,6,9-tris(3-phenylphenyl)anthracene?
The canonical SMILES for 2,6,9-tris(3-phenylphenyl)anthracene is c1ccc(-c2cccc(-c3ccc4c(-c5cccc(-c6ccccc6)c5)c5cc(-c6cccc(-c7ccccc7)c6)ccc5cc4c3)c2)cc1.
What is the InChIKey of 2,6,9-tris(3-phenylphenyl)anthracene?
The InChIKey is RBVYNWKZMAJKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34/c1-4-13-35(14-5-1)38-19-10-22-41(29-38)43-27-28-48-47(32-43)33-45-26-25-44(42-23-11-20-39(30-42)36-15-6-2-7-16-36)34-49(45)50(48)46-24-12-21-40(31-46)37-17-8-3-9-18-37/h1-34H.
What are the key properties of 2,6,9-tris(3-phenylphenyl)anthracene?
2,6,9-tris(3-phenylphenyl)anthracene has a molecular weight of 634.82 g/mol, XLogP of 13.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9-tris(3-phenylphenyl)anthracene is sourced from PubChem (CID 143896794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).