2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine

C24H19N3 — CID 118245468

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ncnc(-c4ccccc4)n3)cc21
InChIInChI=1S/C24H19N3/c1-24(2)20-11-7-6-10-18(20)19-13-12-17(14-21(19)24)23-26-15-25-22(27-23)16-8-4-3-5-9-16/h3-15H,1-2H3
InChIKeyJJGMDQMLYMMXCH-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.51
Rot. Bonds2

About 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine (PubChem CID 118245468) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine
PubChem CID118245468
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ncnc(-c4ccccc4)n3)cc21
InChIInChI=1S/C24H19N3/c1-24(2)20-11-7-6-10-18(20)19-13-12-17(14-21(19)24)23-26-15-25-22(27-23)16-8-4-3-5-9-16/h3-15H,1-2H3
InChIKeyJJGMDQMLYMMXCH-UHFFFAOYSA-N
XLogP5.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine (CID 118245468) is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3ncnc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine?
The InChIKey is JJGMDQMLYMMXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-24(2)20-11-7-6-10-18(20)19-13-12-17(14-21(19)24)23-26-15-25-22(27-23)16-8-4-3-5-9-16/h3-15H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine has a molecular weight of 349.44 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine is sourced from PubChem (CID 118245468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).