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

C36H20F2 — CID 167155318

IUPAC2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
SMILESFc1ccc(-c2c3ccccc3c(-c3cc4ccc5cc(F)cc6ccc(c3)c4c56)c3ccccc23)cc1
InChIInChI=1S/C36H20F2/c37-27-15-13-21(14-16-27)35-29-5-1-3-7-31(29)36(32-8-4-2-6-30(32)35)26-17-22-9-11-24-19-28(38)20-25-12-10-23(18-26)33(22)34(24)25/h1-20H
InChIKeyMOWBGVKBSKDNRE-UHFFFAOYSA-N
MW490.55 g/mol
LogP10.50
Rot. Bonds2

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

2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene (PubChem CID 167155318) has the molecular formula C36H20F2 and a molecular weight of 490.55 g/mol. Its IUPAC name is 2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene.

Molecular Properties

Compound Name2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
PubChem CID167155318
Molecular FormulaC36H20F2
Molecular Weight490.55 g/mol
Exact Mass490.15
IUPAC Name2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
SMILESFc1ccc(-c2c3ccccc3c(-c3cc4ccc5cc(F)cc6ccc(c3)c4c56)c3ccccc23)cc1
InChIInChI=1S/C36H20F2/c37-27-15-13-21(14-16-27)35-29-5-1-3-7-31(29)36(32-8-4-2-6-30(32)35)26-17-22-9-11-24-19-28(38)20-25-12-10-23(18-26)33(22)34(24)25/h1-20H
InChIKeyMOWBGVKBSKDNRE-UHFFFAOYSA-N
XLogP10.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.55
LogP ≤ 510.50
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

2-(4-fluoronaphthalen-1-yl)-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
CID 167155101
2-[10-(3,5-difluorophenyl)anthracen-9-yl]pyrene
CID 167155329
2-anthracen-9-yl-7-(4-fluorophenyl)pyrene
CID 167155067
2-(4-fluoronaphthalen-1-yl)-7-[10-(3,4,5-trifluorophenyl)anthracen-9-yl]pyrene
CID 167155226
2-methyl-7-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]pyrene
CID 167155102
1,2,3,4-tetrakis(4-fluorophenyl)triphenylene
CID 167529952
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
[4-[11,12-bis(4-fluorophenyl)-6-(4-phosphanylphenyl)tetracen-5-yl]phenyl]phosphane
CID 89166315
diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane
CID 151796817
4-(10-phenylanthracen-9-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412900
2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline
CID 58323802

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene?
The IUPAC name of 2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene (CID 167155318) is 2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene.
What is the SMILES notation for 2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene?
The canonical SMILES for 2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene is Fc1ccc(-c2c3ccccc3c(-c3cc4ccc5cc(F)cc6ccc(c3)c4c56)c3ccccc23)cc1.
What is the InChIKey of 2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene?
The InChIKey is MOWBGVKBSKDNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20F2/c37-27-15-13-21(14-16-27)35-29-5-1-3-7-31(29)36(32-8-4-2-6-30(32)35)26-17-22-9-11-24-19-28(38)20-25-12-10-23(18-26)33(22)34(24)25/h1-20H.
What are the key properties of 2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene?
2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene has a molecular weight of 490.55 g/mol, XLogP of 10.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene is sourced from PubChem (CID 167155318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).