2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine

C40H23F2N3 — CID 58273799

IUPAC2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C40H23F2N3/c41-27-18-13-24(14-19-27)37-43-38(25-15-20-28(42)21-16-25)45-39(44-37)26-17-22-32-31-9-3-6-12-35(31)40(36(32)23-26)33-10-4-1-7-29(33)30-8-2-5-11-34(30)40/h1-23H
InChIKeyHCZVMWUNOKIXGM-UHFFFAOYSA-N
MW583.64 g/mol
LogP9.49
Rot. Bonds3

About 2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine

2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine (PubChem CID 58273799) has the molecular formula C40H23F2N3 and a molecular weight of 583.64 g/mol. Its IUPAC name is 2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
PubChem CID58273799
Molecular FormulaC40H23F2N3
Molecular Weight583.64 g/mol
Exact Mass583.19
IUPAC Name2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C40H23F2N3/c41-27-18-13-24(14-19-27)37-43-38(25-15-20-28(42)21-16-25)45-39(44-37)26-17-22-32-31-9-3-6-12-35(31)40(36(32)23-26)33-10-4-1-7-29(33)30-8-2-5-11-34(30)40/h1-23H
InChIKeyHCZVMWUNOKIXGM-UHFFFAOYSA-N
XLogP9.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.64
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine (CID 58273799) is 2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.
What is the InChIKey of 2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine?
The InChIKey is HCZVMWUNOKIXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23F2N3/c41-27-18-13-24(14-19-27)37-43-38(25-15-20-28(42)21-16-25)45-39(44-37)26-17-22-32-31-9-3-6-12-35(31)40(36(32)23-26)33-10-4-1-7-29(33)30-8-2-5-11-34(30)40/h1-23H.
What are the key properties of 2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine?
2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine has a molecular weight of 583.64 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine is sourced from PubChem (CID 58273799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).