2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C52H33FN6 — CID 145277074

IUPAC2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESCC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc21
InChIInChI=1S/C52H33FN6/c1-52(53)44-30-40(50-56-46(34-14-4-2-5-15-34)54-48(58-50)38-22-20-32-12-8-10-18-36(32)28-38)24-26-42(44)43-27-25-41(31-45(43)52)51-57-47(35-16-6-3-7-17-35)55-49(59-51)39-23-21-33-13-9-11-19-37(33)29-39/h2-31H,1H3
InChIKeyNRUWAXCWTBJULC-UHFFFAOYSA-N
MW760.88 g/mol
LogP12.58
Rot. Bonds6

About 2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 145277074) has the molecular formula C52H33FN6 and a molecular weight of 760.88 g/mol. Its IUPAC name is 2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID145277074
Molecular FormulaC52H33FN6
Molecular Weight760.88 g/mol
Exact Mass760.28
IUPAC Name2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESCC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc21
InChIInChI=1S/C52H33FN6/c1-52(53)44-30-40(50-56-46(34-14-4-2-5-15-34)54-48(58-50)38-22-20-32-12-8-10-18-36(32)28-38)24-26-42(44)43-27-25-41(31-45(43)52)51-57-47(35-16-6-3-7-17-35)55-49(59-51)39-23-21-33-13-9-11-19-37(33)29-39/h2-31H,1H3
InChIKeyNRUWAXCWTBJULC-UHFFFAOYSA-N
XLogP12.58
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.88
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-(3'-(9,9-dimethyl-9H-fluoren-2-yl)-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 121450606
2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine
CID 22475988
6,6'-((Perfluoropropane-2,2-diyl)bis(4,1-phenylene))bis(2,4-diphenyl-1,3,5-triazine)
CID 139500797
9,10-bis-(4,6-diamino-S-triazin-2-yl)anthracene
CID 14670367
4,4'-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,1'-biphenyl
CID 22598582
2-(9,9'-Spirobi[fluoren]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 58233367
2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)9,9'-spirobi[fluorene]
CID 58827727
2,4,6-Tris[4-(naphthalen-1-yl)phenyl]-1,3,5-triazine
CID 69407532
2,4-Bis(3-anthracen-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 101520682
2,4-Bis(3-anthracen-9-ylphenyl)-6-(4-anthracen-9-ylphenyl)-1,3,5-triazine
CID 101520684
2,4-Diphenyl-6-[3-(2-triphenylenyl)phenyl]-1,3,5-triazine
CID 118014055
2,4-Diphenyl-6-[4'-(2-triphenylenyl)[1,1'-biphenyl]-3-yl]-1,3,5-triazine
CID 118487435

Frequently Asked Questions

What is the IUPAC name of 2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 145277074) is 2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is CC1(F)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc21.
What is the InChIKey of 2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is NRUWAXCWTBJULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33FN6/c1-52(53)44-30-40(50-56-46(34-14-4-2-5-15-34)54-48(58-50)38-22-20-32-12-8-10-18-36(32)28-38)24-26-42(44)43-27-25-41(31-45(43)52)51-57-47(35-16-6-3-7-17-35)55-49(59-51)39-23-21-33-13-9-11-19-37(33)29-39/h2-31H,1H3.
What are the key properties of 2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 760.88 g/mol, XLogP of 12.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-fluoro-9-methyl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)fluoren-2-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 145277074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).