1-fluoro-6-(10-phenylanthracen-9-yl)pyrene

C36H21F — CID 167155180

IUPAC1-fluoro-6-(10-phenylanthracen-9-yl)pyrene
SMILESFc1ccc2ccc3c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc4ccc1c2c43
InChIInChI=1S/C36H21F/c37-32-21-17-24-14-18-29-30(19-15-23-16-20-31(32)35(24)34(23)29)36-27-12-6-4-10-25(27)33(22-8-2-1-3-9-22)26-11-5-7-13-28(26)36/h1-21H
InChIKeyGEHFSLPKJLFZME-UHFFFAOYSA-N
MW472.56 g/mol
LogP10.36
Rot. Bonds2

About 1-fluoro-6-(10-phenylanthracen-9-yl)pyrene

1-fluoro-6-(10-phenylanthracen-9-yl)pyrene (PubChem CID 167155180) has the molecular formula C36H21F and a molecular weight of 472.56 g/mol. Its IUPAC name is 1-fluoro-6-(10-phenylanthracen-9-yl)pyrene.

Molecular Properties

Compound Name1-fluoro-6-(10-phenylanthracen-9-yl)pyrene
PubChem CID167155180
Molecular FormulaC36H21F
Molecular Weight472.56 g/mol
Exact Mass472.16
IUPAC Name1-fluoro-6-(10-phenylanthracen-9-yl)pyrene
SMILESFc1ccc2ccc3c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc4ccc1c2c43
InChIInChI=1S/C36H21F/c37-32-21-17-24-14-18-29-30(19-15-23-16-20-31(32)35(24)34(23)29)36-27-12-6-4-10-25(27)33(22-8-2-1-3-9-22)26-11-5-7-13-28(26)36/h1-21H
InChIKeyGEHFSLPKJLFZME-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'}

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Related Compounds

5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine
CID 167155028
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
1-[2,4,6-triphenyl-3,5-di(pyren-1-yl)phenyl]pyrene
CID 20596756
1,6-bis(10-phenylanthracen-9-yl)pyrene;methane;(3Z)-penta-1,3-diene
CID 143092811
1,4-difluorobenzo[c]phenanthrene
CID 14938397
1-(3-tert-butyl-10-phenylanthracen-9-yl)pyrene
CID 140869475
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
1-naphthalen-2-yl-7-(10-phenylanthracen-9-yl)pyrene
CID 142727128
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
4-[10-(4-phenylphenyl)anthracen-9-yl]pyrene
CID 58672227
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-(10-phenylanthracen-9-yl)pyrene?
The IUPAC name of 1-fluoro-6-(10-phenylanthracen-9-yl)pyrene (CID 167155180) is 1-fluoro-6-(10-phenylanthracen-9-yl)pyrene.
What is the SMILES notation for 1-fluoro-6-(10-phenylanthracen-9-yl)pyrene?
The canonical SMILES for 1-fluoro-6-(10-phenylanthracen-9-yl)pyrene is Fc1ccc2ccc3c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc4ccc1c2c43.
What is the InChIKey of 1-fluoro-6-(10-phenylanthracen-9-yl)pyrene?
The InChIKey is GEHFSLPKJLFZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21F/c37-32-21-17-24-14-18-29-30(19-15-23-16-20-31(32)35(24)34(23)29)36-27-12-6-4-10-25(27)33(22-8-2-1-3-9-22)26-11-5-7-13-28(26)36/h1-21H.
What are the key properties of 1-fluoro-6-(10-phenylanthracen-9-yl)pyrene?
1-fluoro-6-(10-phenylanthracen-9-yl)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 1-fluoro-6-(10-phenylanthracen-9-yl)pyrene is sourced from PubChem (CID 167155180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).