2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine

C46H34N6 — CID 20652071

IUPAC2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C46H34N6/c1-3-46(2)38-28-34(44-49-40(30-16-8-4-9-17-30)47-41(50-44)31-18-10-5-11-19-31)24-26-36(38)37-27-25-35(29-39(37)46)45-51-42(32-20-12-6-13-21-32)48-43(52-45)33-22-14-7-15-23-33/h4-29H,3H2,1-2H3
InChIKeyLJYQYYGTABVRNW-UHFFFAOYSA-N
MW670.82 g/mol
LogP10.76
Rot. Bonds7

About 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 20652071) has the molecular formula C46H34N6 and a molecular weight of 670.82 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID20652071
Molecular FormulaC46H34N6
Molecular Weight670.82 g/mol
Exact Mass670.28
IUPAC Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C46H34N6/c1-3-46(2)38-28-34(44-49-40(30-16-8-4-9-17-30)47-41(50-44)31-18-10-5-11-19-31)24-26-36(38)37-27-25-35(29-39(37)46)45-51-42(32-20-12-6-13-21-32)48-43(52-45)33-22-14-7-15-23-33/h4-29H,3H2,1-2H3
InChIKeyLJYQYYGTABVRNW-UHFFFAOYSA-N
XLogP10.76
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.82
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

Tris-biphenyl triazine
CID 11628027
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
2-[4-[4-(4,6-Dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine
CID 20652058
4,4'-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,1'-biphenyl
CID 22598582
2,4,6-Trimesityl-1,3,5-triazine
CID 23527749
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(biphenyl-3-yl)-1,3,5-triazine
CID 59336459
2,4-Bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine
CID 59439795
2,4,6-Tris[4-(naphthalen-1-yl)phenyl]-1,3,5-triazine
CID 69407532

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 20652071) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine is CCC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LJYQYYGTABVRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N6/c1-3-46(2)38-28-34(44-49-40(30-16-8-4-9-17-30)47-41(50-44)31-18-10-5-11-19-31)24-26-36(38)37-27-25-35(29-39(37)46)45-51-42(32-20-12-6-13-21-32)48-43(52-45)33-22-14-7-15-23-33/h4-29H,3H2,1-2H3.
What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 670.82 g/mol, XLogP of 10.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-ethyl-9-methylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 20652071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).