2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene

C42H24F4 — CID 23545275

IUPAC2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene
SMILESFc1ccc(-c2c3ccc(F)cc3c(-c3ccccc3)c3c(-c4ccc(F)cc4)c4ccc(F)cc4c(-c4ccccc4)c23)cc1
InChIInChI=1S/C42H24F4/c43-29-15-11-27(12-16-29)37-34-22-20-32(46)24-36(34)40(26-9-5-2-6-10-26)42-38(28-13-17-30(44)18-14-28)33-21-19-31(45)23-35(33)39(41(37)42)25-7-3-1-4-8-25/h1-24H
InChIKeyMYAJYNWTCAMWRP-UHFFFAOYSA-N
MW604.65 g/mol
LogP12.37
Rot. Bonds4

About 2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene

2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene (PubChem CID 23545275) has the molecular formula C42H24F4 and a molecular weight of 604.65 g/mol. Its IUPAC name is 2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene.

Molecular Properties

Compound Name2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene
PubChem CID23545275
Molecular FormulaC42H24F4
Molecular Weight604.65 g/mol
Exact Mass604.18
IUPAC Name2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene
SMILESFc1ccc(-c2c3ccc(F)cc3c(-c3ccccc3)c3c(-c4ccc(F)cc4)c4ccc(F)cc4c(-c4ccccc4)c23)cc1
InChIInChI=1S/C42H24F4/c43-29-15-11-27(12-16-29)37-34-22-20-32(46)24-36(34)40(26-9-5-2-6-10-26)42-38(28-13-17-30(44)18-14-28)33-21-19-31(45)23-35(33)39(41(37)42)25-7-3-1-4-8-25/h1-24H
InChIKeyMYAJYNWTCAMWRP-UHFFFAOYSA-N
XLogP12.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.65
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene?
The IUPAC name of 2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene (CID 23545275) is 2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene.
What is the SMILES notation for 2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene?
The canonical SMILES for 2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene is Fc1ccc(-c2c3ccc(F)cc3c(-c3ccccc3)c3c(-c4ccc(F)cc4)c4ccc(F)cc4c(-c4ccccc4)c23)cc1.
What is the InChIKey of 2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene?
The InChIKey is MYAJYNWTCAMWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24F4/c43-29-15-11-27(12-16-29)37-34-22-20-32(46)24-36(34)40(26-9-5-2-6-10-26)42-38(28-13-17-30(44)18-14-28)33-21-19-31(45)23-35(33)39(41(37)42)25-7-3-1-4-8-25/h1-24H.
What are the key properties of 2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene?
2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene has a molecular weight of 604.65 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-difluoro-5,11-bis(4-fluorophenyl)-6,12-diphenyltetracene is sourced from PubChem (CID 23545275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).