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

C30H23N3 — CID 58233252

IUPAC2-(9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C30H23N3/c1-30(2)25-16-10-9-15-23(25)24-18-17-22(19-26(24)30)29-32-27(20-11-5-3-6-12-20)31-28(33-29)21-13-7-4-8-14-21/h3-19H,1-2H3
InChIKeyDHTQOLAPUJSABK-UHFFFAOYSA-N
MW425.54 g/mol
LogP7.18
Rot. Bonds3

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

2-(9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 58233252) has the molecular formula C30H23N3 and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID58233252
Molecular FormulaC30H23N3
Molecular Weight425.54 g/mol
Exact Mass425.19
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C30H23N3/c1-30(2)25-16-10-9-15-23(25)24-18-17-22(19-26(24)30)29-32-27(20-11-5-3-6-12-20)31-28(33-29)21-13-7-4-8-14-21/h3-19H,1-2H3
InChIKeyDHTQOLAPUJSABK-UHFFFAOYSA-N
XLogP7.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 57.18
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-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 58233252) is 2-(9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DHTQOLAPUJSABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3/c1-30(2)25-16-10-9-15-23(25)24-18-17-22(19-26(24)30)29-32-27(20-11-5-3-6-12-20)31-28(33-29)21-13-7-4-8-14-21/h3-19H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 425.54 g/mol, XLogP of 7.18, 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-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58233252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).