1-(4-fluorophenyl)-3,6,8-triphenylpyrene

C40H25F — CID 59391144

IUPAC1-(4-fluorophenyl)-3,6,8-triphenylpyrene
SMILESFc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c45)cc1
InChIInChI=1S/C40H25F/c41-30-18-16-29(17-19-30)38-25-37(28-14-8-3-9-15-28)33-21-20-31-35(26-10-4-1-5-11-26)24-36(27-12-6-2-7-13-27)32-22-23-34(38)40(33)39(31)32/h1-25H
InChIKeyNBECGZCTWXRDLX-UHFFFAOYSA-N
MW524.64 g/mol
LogP11.39
Rot. Bonds4

About 1-(4-fluorophenyl)-3,6,8-triphenylpyrene

1-(4-fluorophenyl)-3,6,8-triphenylpyrene (PubChem CID 59391144) has the molecular formula C40H25F and a molecular weight of 524.64 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,6,8-triphenylpyrene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,6,8-triphenylpyrene
PubChem CID59391144
Molecular FormulaC40H25F
Molecular Weight524.64 g/mol
Exact Mass524.19
IUPAC Name1-(4-fluorophenyl)-3,6,8-triphenylpyrene
SMILESFc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c45)cc1
InChIInChI=1S/C40H25F/c41-30-18-16-29(17-19-30)38-25-37(28-14-8-3-9-15-28)33-21-20-31-35(26-10-4-1-5-11-26)24-36(27-12-6-2-7-13-27)32-22-23-34(38)40(33)39(31)32/h1-25H
InChIKeyNBECGZCTWXRDLX-UHFFFAOYSA-N
XLogP11.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.64
LogP ≤ 511.39
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

6-(4-fluorophenyl)-1,3-diphenylpyrene
CID 90336828
1-phenyl-3,6,8-tris(4-phenylphenyl)pyrene
CID 59391253
deuteride;1,3,6,8-tetraphenylpyrene
CID 159757384
benzene;1,2,3,4,5,6-hexakis-phenylbenzene;1,3,6,8-tetraphenylpyrene
CID 165101849
1-phenyl-3,6,8-tris(3-phenylphenyl)pyrene
CID 59391073
1,3,6-tris(4-phenylphenyl)pyrene
CID 123689600
1,3,6-triphenyl-8-[3-(1,6,8-triphenylpyren-4-yl)-5-(3,6,8-triphenylpyren-1-yl)phenyl]pyrene
CID 59993828
1,6-bis(3-naphthalen-2-ylphenyl)-3,8-diphenylpyrene
CID 170778813
1,6-dinaphthalen-2-yl-3-phenyl-8-(2-phenylphenyl)pyrene
CID 59793090
N,N,3,8-tetraphenyl-6-[4-(N-phenylanilino)phenyl]pyren-1-amine
CID 118516667
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
7-fluoro-4-(4-fluorophenyl)-1-phenyl-2-propan-2-ylnaphthalene
CID 71425194

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,6,8-triphenylpyrene?
The IUPAC name of 1-(4-fluorophenyl)-3,6,8-triphenylpyrene (CID 59391144) is 1-(4-fluorophenyl)-3,6,8-triphenylpyrene.
What is the SMILES notation for 1-(4-fluorophenyl)-3,6,8-triphenylpyrene?
The canonical SMILES for 1-(4-fluorophenyl)-3,6,8-triphenylpyrene is Fc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccccc5)c5ccc2c3c45)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3,6,8-triphenylpyrene?
The InChIKey is NBECGZCTWXRDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25F/c41-30-18-16-29(17-19-30)38-25-37(28-14-8-3-9-15-28)33-21-20-31-35(26-10-4-1-5-11-26)24-36(27-12-6-2-7-13-27)32-22-23-34(38)40(33)39(31)32/h1-25H.
What are the key properties of 1-(4-fluorophenyl)-3,6,8-triphenylpyrene?
1-(4-fluorophenyl)-3,6,8-triphenylpyrene has a molecular weight of 524.64 g/mol, XLogP of 11.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,6,8-triphenylpyrene is sourced from PubChem (CID 59391144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).