1,4-bis(4-fluorophenyl)benzo[g]phthalazine

C24H14F2N2 — CID 71420428

IUPAC1,4-bis(4-fluorophenyl)benzo[g]phthalazine
SMILESFc1ccc(-c2nnc(-c3ccc(F)cc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C24H14F2N2/c25-19-9-5-15(6-10-19)23-21-13-17-3-1-2-4-18(17)14-22(21)24(28-27-23)16-7-11-20(26)12-8-16/h1-14H
InChIKeyAUZNMQMIHJVUMC-UHFFFAOYSA-N
MW368.39 g/mol
LogP6.40
Rot. Bonds2

About 1,4-bis(4-fluorophenyl)benzo[g]phthalazine

1,4-bis(4-fluorophenyl)benzo[g]phthalazine (PubChem CID 71420428) has the molecular formula C24H14F2N2 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1,4-bis(4-fluorophenyl)benzo[g]phthalazine.

Molecular Properties

Compound Name1,4-bis(4-fluorophenyl)benzo[g]phthalazine
PubChem CID71420428
Molecular FormulaC24H14F2N2
Molecular Weight368.39 g/mol
Exact Mass368.11
IUPAC Name1,4-bis(4-fluorophenyl)benzo[g]phthalazine
SMILESFc1ccc(-c2nnc(-c3ccc(F)cc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C24H14F2N2/c25-19-9-5-15(6-10-19)23-21-13-17-3-1-2-4-18(17)14-22(21)24(28-27-23)16-7-11-20(26)12-8-16/h1-14H
InChIKeyAUZNMQMIHJVUMC-UHFFFAOYSA-N
XLogP6.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,4-bis(4-fluorophenyl)benzo[g]phthalazine?
The IUPAC name of 1,4-bis(4-fluorophenyl)benzo[g]phthalazine (CID 71420428) is 1,4-bis(4-fluorophenyl)benzo[g]phthalazine.
What is the SMILES notation for 1,4-bis(4-fluorophenyl)benzo[g]phthalazine?
The canonical SMILES for 1,4-bis(4-fluorophenyl)benzo[g]phthalazine is Fc1ccc(-c2nnc(-c3ccc(F)cc3)c3cc4ccccc4cc23)cc1.
What is the InChIKey of 1,4-bis(4-fluorophenyl)benzo[g]phthalazine?
The InChIKey is AUZNMQMIHJVUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2N2/c25-19-9-5-15(6-10-19)23-21-13-17-3-1-2-4-18(17)14-22(21)24(28-27-23)16-7-11-20(26)12-8-16/h1-14H.
What are the key properties of 1,4-bis(4-fluorophenyl)benzo[g]phthalazine?
1,4-bis(4-fluorophenyl)benzo[g]phthalazine has a molecular weight of 368.39 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-fluorophenyl)benzo[g]phthalazine is sourced from PubChem (CID 71420428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).