2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine

C29H17F2N5 — CID 59273788

IUPAC2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESFc1ccnc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc(F)ccn3)n2)c1
InChIInChI=1S/C29H17F2N5/c30-21-12-14-32-25(16-21)28-34-27(35-29(36-28)26-17-22(31)13-15-33-26)20-10-8-19(9-11-20)24-7-3-5-18-4-1-2-6-23(18)24/h1-17H
InChIKeyPKAZDHGBVSFSNL-UHFFFAOYSA-N
MW473.49 g/mol
LogP6.76
Rot. Bonds4

About 2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine

2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 59273788) has the molecular formula C29H17F2N5 and a molecular weight of 473.49 g/mol. Its IUPAC name is 2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
PubChem CID59273788
Molecular FormulaC29H17F2N5
Molecular Weight473.49 g/mol
Exact Mass473.15
IUPAC Name2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESFc1ccnc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc(F)ccn3)n2)c1
InChIInChI=1S/C29H17F2N5/c30-21-12-14-32-25(16-21)28-34-27(35-29(36-28)26-17-22(31)13-15-33-26)20-10-8-19(9-11-20)24-7-3-5-18-4-1-2-6-23(18)24/h1-17H
InChIKeyPKAZDHGBVSFSNL-UHFFFAOYSA-N
XLogP6.76
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.49
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 59273788) is 2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is Fc1ccnc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc(F)ccn3)n2)c1.
What is the InChIKey of 2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The InChIKey is PKAZDHGBVSFSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17F2N5/c30-21-12-14-32-25(16-21)28-34-27(35-29(36-28)26-17-22(31)13-15-33-26)20-10-8-19(9-11-20)24-7-3-5-18-4-1-2-6-23(18)24/h1-17H.
What are the key properties of 2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 473.49 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 59273788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).