1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene

C36H22F4 — CID 102300225

IUPAC1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene
SMILESFc1ccc(C2(c3ccc(F)cc3)c3cccc4cccc(c34)C2(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C36H22F4/c37-28-15-7-24(8-16-28)35(25-9-17-29(38)18-10-25)32-5-1-3-23-4-2-6-33(34(23)32)36(35,26-11-19-30(39)20-12-26)27-13-21-31(40)22-14-27/h1-22H
InChIKeyBUQQPFZUHIMCJW-UHFFFAOYSA-N
MW530.56 g/mol
LogP9.08
Rot. Bonds4

About 1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene

1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene (PubChem CID 102300225) has the molecular formula C36H22F4 and a molecular weight of 530.56 g/mol. Its IUPAC name is 1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene.

Molecular Properties

Compound Name1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene
PubChem CID102300225
Molecular FormulaC36H22F4
Molecular Weight530.56 g/mol
Exact Mass530.17
IUPAC Name1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene
SMILESFc1ccc(C2(c3ccc(F)cc3)c3cccc4cccc(c34)C2(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C36H22F4/c37-28-15-7-24(8-16-28)35(25-9-17-29(38)18-10-25)32-5-1-3-23-4-2-6-33(34(23)32)36(35,26-11-19-30(39)20-12-26)27-13-21-31(40)22-14-27/h1-22H
InChIKeyBUQQPFZUHIMCJW-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.56
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene?
The IUPAC name of 1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene (CID 102300225) is 1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene.
What is the SMILES notation for 1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene?
The canonical SMILES for 1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene is Fc1ccc(C2(c3ccc(F)cc3)c3cccc4cccc(c34)C2(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene?
The InChIKey is BUQQPFZUHIMCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22F4/c37-28-15-7-24(8-16-28)35(25-9-17-29(38)18-10-25)32-5-1-3-23-4-2-6-33(34(23)32)36(35,26-11-19-30(39)20-12-26)27-13-21-31(40)22-14-27/h1-22H.
What are the key properties of 1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene?
1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene has a molecular weight of 530.56 g/mol, XLogP of 9.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrakis(4-fluorophenyl)acenaphthylene is sourced from PubChem (CID 102300225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).