2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

C58H37N3O — CID 162487492

IUPAC2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6oc7cc(C8(c9ccccc9)c9ccccc9-c9ccccc98)ccc7c6c5)c4)n3)c2)cc1
InChIInChI=1S/C58H37N3O/c1-4-16-38(17-5-1)40-20-14-22-43(34-40)56-59-55(39-18-6-2-7-19-39)60-57(61-56)44-23-15-21-41(35-44)42-30-33-53-50(36-42)49-32-31-46(37-54(49)62-53)58(45-24-8-3-9-25-45)51-28-12-10-26-47(51)48-27-11-13-29-52(48)58/h1-37H
InChIKeySHSRRRHHIYDPQZ-UHFFFAOYSA-N
MW791.95 g/mol
LogP14.47
Rot. Bonds7

About 2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 162487492) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID162487492
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6oc7cc(C8(c9ccccc9)c9ccccc9-c9ccccc98)ccc7c6c5)c4)n3)c2)cc1
InChIInChI=1S/C58H37N3O/c1-4-16-38(17-5-1)40-20-14-22-43(34-40)56-59-55(39-18-6-2-7-19-39)60-57(61-56)44-23-15-21-41(35-44)42-30-33-53-50(36-42)49-32-31-46(37-54(49)62-53)58(45-24-8-3-9-25-45)51-28-12-10-26-47(51)48-27-11-13-29-52(48)58/h1-37H
InChIKeySHSRRRHHIYDPQZ-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

2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 162487312
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
2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 162487345
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-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 147385970
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-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581949
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581933
6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 146581619
2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine
CID 174361695
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 162487492) is 2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6oc7cc(C8(c9ccccc9)c9ccccc9-c9ccccc98)ccc7c6c5)c4)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is SHSRRRHHIYDPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-4-16-38(17-5-1)40-20-14-22-43(34-40)56-59-55(39-18-6-2-7-19-39)60-57(61-56)44-23-15-21-41(35-44)42-30-33-53-50(36-42)49-32-31-46(37-54(49)62-53)58(45-24-8-3-9-25-45)51-28-12-10-26-47(51)48-27-11-13-29-52(48)58/h1-37H.
What are the key properties of 2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-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-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 162487492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).