2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine

C36H26FN3 — CID 174282209

IUPAC2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4F)n3)cccc21
InChIInChI=1S/C36H26FN3/c1-36(2)29-18-10-9-16-26(29)32-28(17-11-19-30(32)36)35-39-33(24-14-7-4-8-15-24)38-34(40-35)27-21-20-25(22-31(27)37)23-12-5-3-6-13-23/h3-22H,1-2H3
InChIKeyVUAYVBOMTUMWNM-UHFFFAOYSA-N
MW519.62 g/mol
LogP8.98
Rot. Bonds4

About 2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine

2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 174282209) has the molecular formula C36H26FN3 and a molecular weight of 519.62 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID174282209
Molecular FormulaC36H26FN3
Molecular Weight519.62 g/mol
Exact Mass519.21
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4F)n3)cccc21
InChIInChI=1S/C36H26FN3/c1-36(2)29-18-10-9-16-26(29)32-28(17-11-19-30(32)36)35-39-33(24-14-7-4-8-15-24)38-34(40-35)27-21-20-25(22-31(27)37)23-12-5-3-6-13-23/h3-22H,1-2H3
InChIKeyVUAYVBOMTUMWNM-UHFFFAOYSA-N
XLogP8.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.62
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[3-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166565386
[4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645488
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine
CID 126543875
2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 170927879
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 153302614
2-(9,9-dimethylfluoren-4-yl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150402
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-phenyl-4-(4-phenylphenyl)-6-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]-1,3,5-triazine
CID 166901559

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine (CID 174282209) is 2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4F)n3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is VUAYVBOMTUMWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26FN3/c1-36(2)29-18-10-9-16-26(29)32-28(17-11-19-30(32)36)35-39-33(24-14-7-4-8-15-24)38-34(40-35)27-21-20-25(22-31(27)37)23-12-5-3-6-13-23/h3-22H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine?
2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 519.62 g/mol, XLogP of 8.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 174282209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).