9,10-diphenylanthracene

C26H18 — CID 15159

IUPAC9,10-diphenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H
InChIKeyFCNCGHJSNVOIKE-UHFFFAOYSA-N
MW330.43 g/mol
LogP7.33
Rot. Bonds2

About 9,10-diphenylanthracene

9,10-diphenylanthracene (PubChem CID 15159) has the molecular formula C26H18 and a molecular weight of 330.43 g/mol. Its IUPAC name is 9,10-diphenylanthracene.

Molecular Properties

Compound Name9,10-diphenylanthracene
PubChem CID15159
Molecular FormulaC26H18
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name9,10-diphenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H
InChIKeyFCNCGHJSNVOIKE-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 57.33
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 9,10-diphenylanthracene?
The IUPAC name of 9,10-diphenylanthracene (CID 15159) is 9,10-diphenylanthracene.
What is the SMILES notation for 9,10-diphenylanthracene?
The canonical SMILES for 9,10-diphenylanthracene is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 9,10-diphenylanthracene?
The InChIKey is FCNCGHJSNVOIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H.
What are the key properties of 9,10-diphenylanthracene?
9,10-diphenylanthracene has a molecular weight of 330.43 g/mol, XLogP of 7.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diphenylanthracene is sourced from PubChem (CID 15159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).