2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine

C112H70N6O2 — CID 163602172

IUPAC2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5ccc6c(c5)oc5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc56)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5ccc6c(c5)oc5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc56)ccc34)n2)cc1
InChIInChI=1S/2C56H35N3O/c1-4-16-36(17-5-1)53-57-54(37-18-6-2-7-19-37)59-55(58-53)48-27-15-25-42-41(24-14-26-43(42)48)38-30-32-46-47-33-31-40(35-52(47)60-51(46)34-38)56(39-20-8-3-9-21-39)49-28-12-10-22-44(49)45-23-11-13-29-50(45)56;1-4-15-36(16-5-1)53-57-54(37-17-6-2-7-18-37)59-55(58-53)48-24-14-19-40-33-38(27-30-43(40)48)39-28-31-46-47-32-29-42(35-52(47)60-51(46)34-39)56(41-20-8-3-9-21-41)49-25-12-10-22-44(49)45-23-11-13-26-50(45)56/h2*1-35H
InChIKeyGYPCUFZIUPQDKJ-UHFFFAOYSA-N
MW1531.83 g/mol
LogP27.91
Rot. Bonds12

About 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine

2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine (PubChem CID 163602172) has the molecular formula C112H70N6O2 and a molecular weight of 1531.83 g/mol. Its IUPAC name is 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine
PubChem CID163602172
Molecular FormulaC112H70N6O2
Molecular Weight1531.83 g/mol
Exact Mass1530.56
IUPAC Name2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5ccc6c(c5)oc5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc56)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5ccc6c(c5)oc5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc56)ccc34)n2)cc1
InChIInChI=1S/2C56H35N3O/c1-4-16-36(17-5-1)53-57-54(37-18-6-2-7-19-37)59-55(58-53)48-27-15-25-42-41(24-14-26-43(42)48)38-30-32-46-47-33-31-40(35-52(47)60-51(46)34-38)56(39-20-8-3-9-21-39)49-28-12-10-22-44(49)45-23-11-13-29-50(45)56;1-4-15-36(16-5-1)53-57-54(37-17-6-2-7-18-37)59-55(58-53)48-24-14-19-40-33-38(27-30-43(40)48)39-28-31-46-47-32-29-42(35-52(47)60-51(46)34-39)56(41-20-8-3-9-21-41)49-25-12-10-22-44(49)45-23-11-13-26-50(45)56/h2*1-35H
InChIKeyGYPCUFZIUPQDKJ-UHFFFAOYSA-N
XLogP27.91
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms120
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001531.83
LogP ≤ 527.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine (CID 163602172) is 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5ccc6c(c5)oc5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc56)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5ccc6c(c5)oc5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc56)ccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is GYPCUFZIUPQDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H35N3O/c1-4-16-36(17-5-1)53-57-54(37-18-6-2-7-19-37)59-55(58-53)48-27-15-25-42-41(24-14-26-43(42)48)38-30-32-46-47-33-31-40(35-52(47)60-51(46)34-38)56(39-20-8-3-9-21-39)49-28-12-10-22-44(49)45-23-11-13-29-50(45)56;1-4-15-36(16-5-1)53-57-54(37-17-6-2-7-18-37)59-55(58-53)48-24-14-19-40-33-38(27-30-43(40)48)39-28-31-46-47-32-29-42(35-52(47)60-51(46)34-39)56(41-20-8-3-9-21-41)49-25-12-10-22-44(49)45-23-11-13-26-50(45)56/h2*1-35H.
What are the key properties of 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 1531.83 g/mol, XLogP of 27.91, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 163602172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).