5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene

C24H13BrF2 — CID 139095399

IUPAC5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene
SMILESFc1ccc(-c2c3cc(F)ccc3c(Br)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C24H13BrF2/c25-24-19-10-9-18(27)13-21(19)23(14-5-7-17(26)8-6-14)20-11-15-3-1-2-4-16(15)12-22(20)24/h1-13H
InChIKeySXJVBBYGGQPKCB-UHFFFAOYSA-N
MW419.27 g/mol
LogP7.85
Rot. Bonds1

About 5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene

5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene (PubChem CID 139095399) has the molecular formula C24H13BrF2 and a molecular weight of 419.27 g/mol. Its IUPAC name is 5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene.

Molecular Properties

Compound Name5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene
PubChem CID139095399
Molecular FormulaC24H13BrF2
Molecular Weight419.27 g/mol
Exact Mass418.02
IUPAC Name5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene
SMILESFc1ccc(-c2c3cc(F)ccc3c(Br)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C24H13BrF2/c25-24-19-10-9-18(27)13-21(19)23(14-5-7-17(26)8-6-14)20-11-15-3-1-2-4-16(15)12-22(20)24/h1-13H
InChIKeySXJVBBYGGQPKCB-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.27
LogP ≤ 57.85
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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Related Compounds

9-Bromophenanthrene
CID 11309
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
6-Bromobenzo(a)pyrene
CID 30545
1-Bromopyrene
CID 159627
7-Bromobenz(a)anthracene
CID 72849
9-Bromo-10-phenyl-anthracene
CID 4155836
9-Bromo-10-methylanthracene
CID 5077898
1,3,6,8-Tetrabromopyrene
CID 67188
Pyrene, 1,6-Dibromo-
CID 176470
4-Bromopyrene
CID 3014036
2-Bromoanthracene
CID 12346099

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene?
The IUPAC name of 5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene (CID 139095399) is 5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene.
What is the SMILES notation for 5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene?
The canonical SMILES for 5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene is Fc1ccc(-c2c3cc(F)ccc3c(Br)c3cc4ccccc4cc23)cc1.
What is the InChIKey of 5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene?
The InChIKey is SXJVBBYGGQPKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BrF2/c25-24-19-10-9-18(27)13-21(19)23(14-5-7-17(26)8-6-14)20-11-15-3-1-2-4-16(15)12-22(20)24/h1-13H.
What are the key properties of 5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene?
5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene has a molecular weight of 419.27 g/mol, XLogP of 7.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-12-(4-fluorophenyl)tetracene is sourced from PubChem (CID 139095399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).