6-(4-fluorophenyl)-1,3-diphenylpyrene

C34H21F — CID 90336828

IUPAC6-(4-fluorophenyl)-1,3-diphenylpyrene
SMILESFc1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c45)cc1
InChIInChI=1S/C34H21F/c35-26-15-11-24(12-16-26)27-17-13-25-14-18-29-31(22-7-3-1-4-8-22)21-32(23-9-5-2-6-10-23)30-20-19-28(27)33(25)34(29)30/h1-21H
InChIKeyNASHDGCNSFPECK-UHFFFAOYSA-N
MW448.54 g/mol
LogP9.72
Rot. Bonds3

About 6-(4-fluorophenyl)-1,3-diphenylpyrene

6-(4-fluorophenyl)-1,3-diphenylpyrene (PubChem CID 90336828) has the molecular formula C34H21F and a molecular weight of 448.54 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1,3-diphenylpyrene.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1,3-diphenylpyrene
PubChem CID90336828
Molecular FormulaC34H21F
Molecular Weight448.54 g/mol
Exact Mass448.16
IUPAC Name6-(4-fluorophenyl)-1,3-diphenylpyrene
SMILESFc1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c45)cc1
InChIInChI=1S/C34H21F/c35-26-15-11-24(12-16-26)27-17-13-25-14-18-29-31(22-7-3-1-4-8-22)21-32(23-9-5-2-6-10-23)30-20-19-28(27)33(25)34(29)30/h1-21H
InChIKeyNASHDGCNSFPECK-UHFFFAOYSA-N
XLogP9.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
1-(4-fluorophenyl)-3,6,8-triphenylpyrene
CID 59391144
3-bromo-1,6-bis(4-fluorophenyl)pyrene
CID 86643023
1,6-bis(2,5-diphenylphenyl)-3-(4-phenylphenyl)pyrene
CID 140589968
4-naphthalen-2-yl-1,6-diphenylpyrene
CID 167335387
3-bromo-1,6-diphenylpyrene
CID 86668275
1-phenyl-3,6,8-tris(4-phenylphenyl)pyrene
CID 59391253
1,6-di(phenanthren-9-yl)-3-(4-phenylphenyl)pyrene
CID 123971981
deuteride;1,3,6,8-tetraphenylpyrene
CID 159757384
3-naphthalen-2-yl-1,6-bis(2-phenylphenyl)pyrene
CID 123449510
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1,6-bis(3,5-diphenylphenyl)pyrene
CID 59133444

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1,3-diphenylpyrene?
The IUPAC name of 6-(4-fluorophenyl)-1,3-diphenylpyrene (CID 90336828) is 6-(4-fluorophenyl)-1,3-diphenylpyrene.
What is the SMILES notation for 6-(4-fluorophenyl)-1,3-diphenylpyrene?
The canonical SMILES for 6-(4-fluorophenyl)-1,3-diphenylpyrene is Fc1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c45)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1,3-diphenylpyrene?
The InChIKey is NASHDGCNSFPECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21F/c35-26-15-11-24(12-16-26)27-17-13-25-14-18-29-31(22-7-3-1-4-8-22)21-32(23-9-5-2-6-10-23)30-20-19-28(27)33(25)34(29)30/h1-21H.
What are the key properties of 6-(4-fluorophenyl)-1,3-diphenylpyrene?
6-(4-fluorophenyl)-1,3-diphenylpyrene has a molecular weight of 448.54 g/mol, XLogP of 9.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1,3-diphenylpyrene is sourced from PubChem (CID 90336828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).