2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine

C31H23F2N3 — CID 58273797

IUPAC2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)ccc1-2
InChIInChI=1S/C31H23F2N3/c1-18-4-14-24-25-15-9-21(17-27(25)31(2,3)26(24)16-18)30-35-28(19-5-10-22(32)11-6-19)34-29(36-30)20-7-12-23(33)13-8-20/h4-17H,1-3H3
InChIKeyDYGMLZYWDJPKSN-UHFFFAOYSA-N
MW475.54 g/mol
LogP7.77
Rot. Bonds3

About 2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine

2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine (PubChem CID 58273797) has the molecular formula C31H23F2N3 and a molecular weight of 475.54 g/mol. Its IUPAC name is 2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine
PubChem CID58273797
Molecular FormulaC31H23F2N3
Molecular Weight475.54 g/mol
Exact Mass475.19
IUPAC Name2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)ccc1-2
InChIInChI=1S/C31H23F2N3/c1-18-4-14-24-25-15-9-21(17-27(25)31(2,3)26(24)16-18)30-35-28(19-5-10-22(32)11-6-19)34-29(36-30)20-7-12-23(33)13-8-20/h4-17H,1-3H3
InChIKeyDYGMLZYWDJPKSN-UHFFFAOYSA-N
XLogP7.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.54
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tris-biphenyl triazine
CID 11628027
1,3,5-Triazine, 2-chloro-4,6-bis(2,4-dimethylphenyl)-
CID 71059
2,4-Bis(4-biphenylyl)-6-chloro-1,3,5-triazine
CID 22476006
2-(3'-(9,9-dimethyl-9H-fluoren-2-yl)-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 121450606
2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine
CID 22475988
6,6'-((Perfluoropropane-2,2-diyl)bis(4,1-phenylene))bis(2,4-diphenyl-1,3,5-triazine)
CID 139500797
2,4-Diphenyl-6-(o-tolyl)-1,3,5-triazine
CID 12689833
2,4,6-Tris(2-methylphenyl)-1,3,5-triazine
CID 14148361
2,4,6-Trimesityl-1,3,5-triazine
CID 23527749
2-(9,9'-Spirobi[fluoren]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 58233367
2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)9,9'-spirobi[fluorene]
CID 58827727
2,4,6-Tris(biphenyl-3-yl)-1,3,5-triazine
CID 59336459

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine (CID 58273797) is 2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine is Cc1ccc2c(c1)C(C)(C)c1cc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)ccc1-2.
What is the InChIKey of 2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine?
The InChIKey is DYGMLZYWDJPKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F2N3/c1-18-4-14-24-25-15-9-21(17-27(25)31(2,3)26(24)16-18)30-35-28(19-5-10-22(32)11-6-19)34-29(36-30)20-7-12-23(33)13-8-20/h4-17H,1-3H3.
What are the key properties of 2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine?
2,4-bis(4-fluorophenyl)-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine has a molecular weight of 475.54 g/mol, XLogP of 7.77, 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-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 58273797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).