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

C30H21F2N3 — CID 58273806

IUPAC2-(9,9-dimethylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4F)nc(-c4ccccc4F)n3)cc21
InChIInChI=1S/C30H21F2N3/c1-30(2)23-12-6-3-9-19(23)20-16-15-18(17-24(20)30)27-33-28(21-10-4-7-13-25(21)31)35-29(34-27)22-11-5-8-14-26(22)32/h3-17H,1-2H3
InChIKeyYGDKJCUCKRNTES-UHFFFAOYSA-N
MW461.52 g/mol
LogP7.46
Rot. Bonds3

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

2-(9,9-dimethylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine (PubChem CID 58273806) has the molecular formula C30H21F2N3 and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine
PubChem CID58273806
Molecular FormulaC30H21F2N3
Molecular Weight461.52 g/mol
Exact Mass461.17
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4F)nc(-c4ccccc4F)n3)cc21
InChIInChI=1S/C30H21F2N3/c1-30(2)23-12-6-3-9-19(23)20-16-15-18(17-24(20)30)27-33-28(21-10-4-7-13-25(21)31)35-29(34-27)22-11-5-8-14-26(22)32/h3-17H,1-2H3
InChIKeyYGDKJCUCKRNTES-UHFFFAOYSA-N
XLogP7.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 57.46
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)-4,6-bis(2-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine (CID 58273806) is 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4F)nc(-c4ccccc4F)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine?
The InChIKey is YGDKJCUCKRNTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F2N3/c1-30(2)23-12-6-3-9-19(23)20-16-15-18(17-24(20)30)27-33-28(21-10-4-7-13-25(21)31)35-29(34-27)22-11-5-8-14-26(22)32/h3-17H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(2-fluorophenyl)-1,3,5-triazine has a molecular weight of 461.52 g/mol, XLogP of 7.46, 3 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)-4,6-bis(2-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 58273806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).