2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene

C46H26F2 — CID 167155101

IUPAC2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
SMILESFc1ccc(-c2c3ccccc3c(-c3cc4ccc5cc(-c6ccc(F)c7ccccc67)cc6ccc(c3)c4c56)c3ccccc23)cc1
InChIInChI=1S/C46H26F2/c47-34-19-17-27(18-20-34)45-38-9-3-5-11-40(38)46(41-12-6-4-10-39(41)45)33-25-30-15-13-28-23-32(24-29-14-16-31(26-33)44(30)43(28)29)35-21-22-42(48)37-8-2-1-7-36(35)37/h1-26H
InChIKeyZFXYFTRGKHNXGC-UHFFFAOYSA-N
MW616.71 g/mol
LogP13.32
Rot. Bonds3

About 2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene

2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene (PubChem CID 167155101) has the molecular formula C46H26F2 and a molecular weight of 616.71 g/mol. Its IUPAC name is 2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene.

Molecular Properties

Compound Name2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
PubChem CID167155101
Molecular FormulaC46H26F2
Molecular Weight616.71 g/mol
Exact Mass616.20
IUPAC Name2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
SMILESFc1ccc(-c2c3ccccc3c(-c3cc4ccc5cc(-c6ccc(F)c7ccccc67)cc6ccc(c3)c4c56)c3ccccc23)cc1
InChIInChI=1S/C46H26F2/c47-34-19-17-27(18-20-34)45-38-9-3-5-11-40(38)46(41-12-6-4-10-39(41)45)33-25-30-15-13-28-23-32(24-29-14-16-31(26-33)44(30)43(28)29)35-21-22-42(48)37-8-2-1-7-36(35)37/h1-26H
InChIKeyZFXYFTRGKHNXGC-UHFFFAOYSA-N
XLogP13.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.71
LogP ≤ 513.32
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-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]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-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene?
The IUPAC name of 2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene (CID 167155101) is 2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene.
What is the SMILES notation for 2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene?
The canonical SMILES for 2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene is Fc1ccc(-c2c3ccccc3c(-c3cc4ccc5cc(-c6ccc(F)c7ccccc67)cc6ccc(c3)c4c56)c3ccccc23)cc1.
What is the InChIKey of 2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene?
The InChIKey is ZFXYFTRGKHNXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26F2/c47-34-19-17-27(18-20-34)45-38-9-3-5-11-40(38)46(41-12-6-4-10-39(41)45)33-25-30-15-13-28-23-32(24-29-14-16-31(26-33)44(30)43(28)29)35-21-22-42(48)37-8-2-1-7-36(35)37/h1-26H.
What are the key properties of 2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene?
2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene has a molecular weight of 616.71 g/mol, XLogP of 13.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene is sourced from PubChem (CID 167155101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).