2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

C58H37N3O — CID 174361020

IUPAC2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)n4)c4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C58H37N3O/c1-4-18-38(19-5-1)40-22-16-23-41(34-40)43-36-49(54-48-30-12-15-33-52(48)62-53(54)37-43)57-60-55(39-20-6-2-7-21-39)59-56(61-57)42-24-17-27-45(35-42)58(44-25-8-3-9-26-44)50-31-13-10-28-46(50)47-29-11-14-32-51(47)58/h1-37H
InChIKeyGQQRKZDFIPAHEF-UHFFFAOYSA-N
MW791.95 g/mol
LogP14.47
Rot. Bonds7

About 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 174361020) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID174361020
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)n4)c4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C58H37N3O/c1-4-18-38(19-5-1)40-22-16-23-41(34-40)43-36-49(54-48-30-12-15-33-52(48)62-53(54)37-43)57-60-55(39-20-6-2-7-21-39)59-56(61-57)42-24-17-27-45(35-42)58(44-25-8-3-9-26-44)50-31-13-10-28-46(50)47-29-11-14-32-51(47)58/h1-37H
InChIKeyGQQRKZDFIPAHEF-UHFFFAOYSA-N
XLogP14.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361924
2-(9,9-diphenylfluoren-3-yl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170680887
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581682
2,4-diphenyl-6-[5-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487343
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581933
2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146649061
2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581940
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146581865
2-[3-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160588637
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361088
2-(3,5-diphenylphenyl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259251
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 174361020) is 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)n4)c4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is GQQRKZDFIPAHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-4-18-38(19-5-1)40-22-16-23-41(34-40)43-36-49(54-48-30-12-15-33-52(48)62-53(54)37-43)57-60-55(39-20-6-2-7-21-39)59-56(61-57)42-24-17-27-45(35-42)58(44-25-8-3-9-26-44)50-31-13-10-28-46(50)47-29-11-14-32-51(47)58/h1-37H.
What are the key properties of 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 791.95 g/mol, XLogP of 14.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 174361020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).