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

C40H23F2N3 — CID 58273820

IUPAC2,4-bis(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
SMILESFc1ccccc1-c1nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2ccccc2F)n1
InChIInChI=1S/C40H23F2N3/c41-35-19-9-4-14-29(35)38-43-37(44-39(45-38)30-15-5-10-20-36(30)42)24-21-22-28-27-13-3-8-18-33(27)40(34(28)23-24)31-16-6-1-11-25(31)26-12-2-7-17-32(26)40/h1-23H
InChIKeyKNTQJNJGSMHSKO-UHFFFAOYSA-N
MW583.64 g/mol
LogP9.49
Rot. Bonds3

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

2,4-bis(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine (PubChem CID 58273820) has the molecular formula C40H23F2N3 and a molecular weight of 583.64 g/mol. Its IUPAC name is 2,4-bis(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
PubChem CID58273820
Molecular FormulaC40H23F2N3
Molecular Weight583.64 g/mol
Exact Mass583.19
IUPAC Name2,4-bis(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
SMILESFc1ccccc1-c1nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2ccccc2F)n1
InChIInChI=1S/C40H23F2N3/c41-35-19-9-4-14-29(35)38-43-37(44-39(45-38)30-15-5-10-20-36(30)42)24-21-22-28-27-13-3-8-18-33(27)40(34(28)23-24)31-16-6-1-11-25(31)26-12-2-7-17-32(26)40/h1-23H
InChIKeyKNTQJNJGSMHSKO-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(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine (CID 58273820) is 2,4-bis(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine is Fc1ccccc1-c1nc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc(-c2ccccc2F)n1.
What is the InChIKey of 2,4-bis(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine?
The InChIKey is KNTQJNJGSMHSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23F2N3/c41-35-19-9-4-14-29(35)38-43-37(44-39(45-38)30-15-5-10-20-36(30)42)24-21-22-28-27-13-3-8-18-33(27)40(34(28)23-24)31-16-6-1-11-25(31)26-12-2-7-17-32(26)40/h1-23H.
What are the key properties of 2,4-bis(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine?
2,4-bis(2-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(2-fluorophenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine is sourced from PubChem (CID 58273820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).