2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene

C50H34 — CID 58875734

IUPAC2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4cc(-c5ccccc5-c5ccccc5)ccc34)c2)cc1
InChIInChI=1S/C50H34/c1-4-16-35(17-5-1)38-22-14-24-41(32-38)49-45-28-12-13-29-46(45)50(42-25-15-23-39(33-42)36-18-6-2-7-19-36)48-34-40(30-31-47(48)49)44-27-11-10-26-43(44)37-20-8-3-9-21-37/h1-34H
InChIKeyIDTHERXEXRPMLB-UHFFFAOYSA-N
MW634.82 g/mol
LogP13.99
Rot. Bonds6

About 2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene

2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene (PubChem CID 58875734) has the molecular formula C50H34 and a molecular weight of 634.82 g/mol. Its IUPAC name is 2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
PubChem CID58875734
Molecular FormulaC50H34
Molecular Weight634.82 g/mol
Exact Mass634.27
IUPAC Name2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4cc(-c5ccccc5-c5ccccc5)ccc34)c2)cc1
InChIInChI=1S/C50H34/c1-4-16-35(17-5-1)38-22-14-24-41(32-38)49-45-28-12-13-29-46(45)50(42-25-15-23-39(33-42)36-18-6-2-7-19-36)48-34-40(30-31-47(48)49)44-27-11-10-26-43(44)37-20-8-3-9-21-37/h1-34H
InChIKeyIDTHERXEXRPMLB-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene?
The IUPAC name of 2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene (CID 58875734) is 2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene.
What is the SMILES notation for 2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene?
The canonical SMILES for 2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4cc(-c5ccccc5-c5ccccc5)ccc34)c2)cc1.
What is the InChIKey of 2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene?
The InChIKey is IDTHERXEXRPMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34/c1-4-16-35(17-5-1)38-22-14-24-41(32-38)49-45-28-12-13-29-46(45)50(42-25-15-23-39(33-42)36-18-6-2-7-19-36)48-34-40(30-31-47(48)49)44-27-11-10-26-43(44)37-20-8-3-9-21-37/h1-34H.
What are the key properties of 2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene?
2-(2-phenylphenyl)-9,10-bis(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-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene is sourced from PubChem (CID 58875734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).