2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane

C53H39N3 — CID 159816349

IUPAC2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane
SMILESC.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc(-c4ccccc4)cc4c3Cc3ccc(-c5ccccc5)cc3-4)c2)cc1
InChIInChI=1S/C52H35N3.CH4/c1-6-16-35(17-7-1)40-26-27-41-32-48-47(33-43(34-49(48)46(41)31-40)37-20-10-3-11-21-37)44-28-42(36-18-8-2-9-19-36)29-45(30-44)52-54-50(38-22-12-4-13-23-38)53-51(55-52)39-24-14-5-15-25-39;/h1-31,33-34H,32H2;1H4
InChIKeyNLQYBVSOTUTJTN-UHFFFAOYSA-N
MW717.92 g/mol
LogP13.75
Rot. Bonds7

About 2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane

2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane (PubChem CID 159816349) has the molecular formula C53H39N3 and a molecular weight of 717.92 g/mol. Its IUPAC name is 2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane.

Molecular Properties

Compound Name2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane
PubChem CID159816349
Molecular FormulaC53H39N3
Molecular Weight717.92 g/mol
Exact Mass717.31
IUPAC Name2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane
SMILESC.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc(-c4ccccc4)cc4c3Cc3ccc(-c5ccccc5)cc3-4)c2)cc1
InChIInChI=1S/C52H35N3.CH4/c1-6-16-35(17-7-1)40-26-27-41-32-48-47(33-43(34-49(48)46(41)31-40)37-20-10-3-11-21-37)44-28-42(36-18-8-2-9-19-36)29-45(30-44)52-54-50(38-22-12-4-13-23-38)53-51(55-52)39-24-14-5-15-25-39;/h1-31,33-34H,32H2;1H4
InChIKeyNLQYBVSOTUTJTN-UHFFFAOYSA-N
XLogP13.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.92
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylphenyl)-9H-fluoren-1-yl]-1,3,5-triazine
CID 159788498
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-3-yl]phenyl]-1,3,5-triazine
CID 118685423
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413
2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane
CID 161009939
2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685425
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161494558
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 159922671
4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol
CID 139370656

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane?
The IUPAC name of 2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane (CID 159816349) is 2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane.
What is the SMILES notation for 2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane?
The canonical SMILES for 2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane is C.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc(-c4ccccc4)cc4c3Cc3ccc(-c5ccccc5)cc3-4)c2)cc1.
What is the InChIKey of 2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane?
The InChIKey is NLQYBVSOTUTJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3.CH4/c1-6-16-35(17-7-1)40-26-27-41-32-48-47(33-43(34-49(48)46(41)31-40)37-20-10-3-11-21-37)44-28-42(36-18-8-2-9-19-36)29-45(30-44)52-54-50(38-22-12-4-13-23-38)53-51(55-52)39-24-14-5-15-25-39;/h1-31,33-34H,32H2;1H4.
What are the key properties of 2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane?
2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane has a molecular weight of 717.92 g/mol, XLogP of 13.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane is sourced from PubChem (CID 159816349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).