2-anthracen-9-yl-7-(4-fluorophenyl)pyrene

C36H21F — CID 167155067

IUPAC2-anthracen-9-yl-7-(4-fluorophenyl)pyrene
SMILESFc1ccc(-c2cc3ccc4cc(-c5c6ccccc6cc6ccccc56)cc5ccc(c2)c3c45)cc1
InChIInChI=1S/C36H21F/c37-31-15-13-22(14-16-31)29-18-25-9-11-27-20-30(21-28-12-10-26(19-29)34(25)35(27)28)36-32-7-3-1-5-23(32)17-24-6-2-4-8-33(24)36/h1-21H
InChIKeyDULKPHXRWARYQK-UHFFFAOYSA-N
MW472.56 g/mol
LogP10.36
Rot. Bonds2

About 2-anthracen-9-yl-7-(4-fluorophenyl)pyrene

2-anthracen-9-yl-7-(4-fluorophenyl)pyrene (PubChem CID 167155067) has the molecular formula C36H21F and a molecular weight of 472.56 g/mol. Its IUPAC name is 2-anthracen-9-yl-7-(4-fluorophenyl)pyrene.

Molecular Properties

Compound Name2-anthracen-9-yl-7-(4-fluorophenyl)pyrene
PubChem CID167155067
Molecular FormulaC36H21F
Molecular Weight472.56 g/mol
Exact Mass472.16
IUPAC Name2-anthracen-9-yl-7-(4-fluorophenyl)pyrene
SMILESFc1ccc(-c2cc3ccc4cc(-c5c6ccccc6cc6ccccc56)cc5ccc(c2)c3c45)cc1
InChIInChI=1S/C36H21F/c37-31-15-13-22(14-16-31)29-18-25-9-11-27-20-30(21-28-12-10-26(19-29)34(25)35(27)28)36-32-7-3-1-5-23(32)17-24-6-2-4-8-33(24)36/h1-21H
InChIKeyDULKPHXRWARYQK-UHFFFAOYSA-N
XLogP10.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-anthracen-9-yl-7-(4-fluorophenyl)pyrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-7-(4-fluorophenyl)pyrene?
The IUPAC name of 2-anthracen-9-yl-7-(4-fluorophenyl)pyrene (CID 167155067) is 2-anthracen-9-yl-7-(4-fluorophenyl)pyrene.
What is the SMILES notation for 2-anthracen-9-yl-7-(4-fluorophenyl)pyrene?
The canonical SMILES for 2-anthracen-9-yl-7-(4-fluorophenyl)pyrene is Fc1ccc(-c2cc3ccc4cc(-c5c6ccccc6cc6ccccc56)cc5ccc(c2)c3c45)cc1.
What is the InChIKey of 2-anthracen-9-yl-7-(4-fluorophenyl)pyrene?
The InChIKey is DULKPHXRWARYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21F/c37-31-15-13-22(14-16-31)29-18-25-9-11-27-20-30(21-28-12-10-26(19-29)34(25)35(27)28)36-32-7-3-1-5-23(32)17-24-6-2-4-8-33(24)36/h1-21H.
What are the key properties of 2-anthracen-9-yl-7-(4-fluorophenyl)pyrene?
2-anthracen-9-yl-7-(4-fluorophenyl)pyrene has a molecular weight of 472.56 g/mol, XLogP of 10.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-7-(4-fluorophenyl)pyrene is sourced from PubChem (CID 167155067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).