2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine

C46H31N3 — CID 170441826

IUPAC2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1
InChIInChI=1S/C46H31N3/c1-6-18-32(19-7-1)39-30-35(45-48-43(33-20-8-2-9-21-33)47-44(49-45)34-22-10-3-11-23-34)31-41-42(39)38-28-16-17-29-40(38)46(41,36-24-12-4-13-25-36)37-26-14-5-15-27-37/h1-31H
InChIKeyKLLGFNCWZVGZHA-UHFFFAOYSA-N
MW625.78 g/mol
LogP10.90
Rot. Bonds6

About 2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine

2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine (PubChem CID 170441826) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine
PubChem CID170441826
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1
InChIInChI=1S/C46H31N3/c1-6-18-32(19-7-1)39-30-35(45-48-43(33-20-8-2-9-21-33)47-44(49-45)34-22-10-3-11-23-34)31-41-42(39)38-28-16-17-29-40(38)46(41,36-24-12-4-13-25-36)37-26-14-5-15-27-37/h1-31H
InChIKeyKLLGFNCWZVGZHA-UHFFFAOYSA-N
XLogP10.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 148899116
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
2-(9,9-diphenylfluoren-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162196090
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177079191
2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134569779
2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 161043572
2-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 148966276

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine (CID 170441826) is 2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine?
The InChIKey is KLLGFNCWZVGZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-6-18-32(19-7-1)39-30-35(45-48-43(33-20-8-2-9-21-33)47-44(49-45)34-22-10-3-11-23-34)31-41-42(39)38-28-16-17-29-40(38)46(41,36-24-12-4-13-25-36)37-26-14-5-15-27-37/h1-31H.
What are the key properties of 2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine?
2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine has a molecular weight of 625.78 g/mol, XLogP of 10.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(4,9,9-triphenylfluoren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 170441826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).