2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine

C28H18BrN3 — CID 147440229

IUPAC2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1cccc2c1-c1c(cccc1-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)C2
InChIInChI=1S/C28H18BrN3/c29-23-16-8-14-21-17-20-13-7-15-22(24(20)25(21)23)28-31-26(18-9-3-1-4-10-18)30-27(32-28)19-11-5-2-6-12-19/h1-16H,17H2
InChIKeyDWBRQLBEALPHML-UHFFFAOYSA-N
MW476.38 g/mol
LogP7.21
Rot. Bonds3

About 2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine

2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 147440229) has the molecular formula C28H18BrN3 and a molecular weight of 476.38 g/mol. Its IUPAC name is 2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID147440229
Molecular FormulaC28H18BrN3
Molecular Weight476.38 g/mol
Exact Mass475.07
IUPAC Name2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1cccc2c1-c1c(cccc1-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)C2
InChIInChI=1S/C28H18BrN3/c29-23-16-8-14-21-17-20-13-7-15-22(24(20)25(21)23)28-31-26(18-9-3-1-4-10-18)30-27(32-28)19-11-5-2-6-12-19/h1-16H,17H2
InChIKeyDWBRQLBEALPHML-UHFFFAOYSA-N
XLogP7.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155151393
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525
2-cyclohepta-1,3,6-trien-1-yl-4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167223526
5-bromo-3-phenyl-9H-fluorene
CID 157361049
2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine
CID 163296684
2-[2-(9H-fluoren-4-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 146886116
2-[3-(9H-fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158076538
2-naphthalen-2-yl-4-(5-naphtho[2,3-b][1]benzofuran-1-yl-9H-fluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 171587149
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343
3-(5-bromo-9H-fluoren-4-yl)-6,9-diphenylcarbazole
CID 149398264
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
CID 79435454

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine (CID 147440229) is 2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine is Brc1cccc2c1-c1c(cccc1-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)C2.
What is the InChIKey of 2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DWBRQLBEALPHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18BrN3/c29-23-16-8-14-21-17-20-13-7-15-22(24(20)25(21)23)28-31-26(18-9-3-1-4-10-18)30-27(32-28)19-11-5-2-6-12-19/h1-16H,17H2.
What are the key properties of 2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 476.38 g/mol, XLogP of 7.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 147440229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).