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

C31H25N3 — CID 58233246

IUPAC2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1-2
InChIInChI=1S/C31H25N3/c1-20-14-16-24-25-17-15-23(19-27(25)31(2,3)26(24)18-20)30-33-28(21-10-6-4-7-11-21)32-29(34-30)22-12-8-5-9-13-22/h4-19H,1-3H3
InChIKeyPJOQIDBFCPDHTJ-UHFFFAOYSA-N
MW439.56 g/mol
LogP7.49
Rot. Bonds3

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

2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine (PubChem CID 58233246) has the molecular formula C31H25N3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine
PubChem CID58233246
Molecular FormulaC31H25N3
Molecular Weight439.56 g/mol
Exact Mass439.20
IUPAC Name2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1-2
InChIInChI=1S/C31H25N3/c1-20-14-16-24-25-17-15-23(19-27(25)31(2,3)26(24)18-20)30-33-28(21-10-6-4-7-11-21)32-29(34-30)22-12-8-5-9-13-22/h4-19H,1-3H3
InChIKeyPJOQIDBFCPDHTJ-UHFFFAOYSA-N
XLogP7.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine (CID 58233246) is 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine is Cc1ccc2c(c1)C(C)(C)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1-2.
What is the InChIKey of 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine?
The InChIKey is PJOQIDBFCPDHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3/c1-20-14-16-24-25-17-15-23(19-27(25)31(2,3)26(24)18-20)30-33-28(21-10-6-4-7-11-21)32-29(34-30)22-12-8-5-9-13-22/h4-19H,1-3H3.
What are the key properties of 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine?
2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine has a molecular weight of 439.56 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 58233246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).