2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole

C53H32N4O2 — CID 149367875

IUPAC2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cccc4oc5cc(-c6nc7ccccc7o6)ccc5c34)n2)cc1
InChIInChI=1S/C53H32N4O2/c1-4-16-33(17-5-1)49-55-50(39-23-14-26-42-47(39)37-22-10-11-25-41(37)53(42,35-18-6-2-7-19-35)36-20-8-3-9-21-36)57-51(56-49)40-24-15-29-45-48(40)38-31-30-34(32-46(38)58-45)52-54-43-27-12-13-28-44(43)59-52/h1-32H
InChIKeyYJFHVILHRYISGQ-UHFFFAOYSA-N
MW756.87 g/mol
LogP12.94
Rot. Bonds6

About 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole

2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole (PubChem CID 149367875) has the molecular formula C53H32N4O2 and a molecular weight of 756.87 g/mol. Its IUPAC name is 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
PubChem CID149367875
Molecular FormulaC53H32N4O2
Molecular Weight756.87 g/mol
Exact Mass756.25
IUPAC Name2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cccc4oc5cc(-c6nc7ccccc7o6)ccc5c34)n2)cc1
InChIInChI=1S/C53H32N4O2/c1-4-16-33(17-5-1)49-55-50(39-23-14-26-42-47(39)37-22-10-11-25-41(37)53(42,35-18-6-2-7-19-35)36-20-8-3-9-21-36)57-51(56-49)40-24-15-29-45-48(40)38-31-30-34(32-46(38)58-45)52-54-43-27-12-13-28-44(43)59-52/h1-32H
InChIKeyYJFHVILHRYISGQ-UHFFFAOYSA-N
XLogP12.94
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.87
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole
CID 163899943
2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369287
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002825
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153368921
2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349495
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-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581933
2-[8-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002904
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837
2-[4-[4-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3-benzoxazole
CID 170681623
2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 153087373
2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651227

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole (CID 149367875) is 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole is c1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cccc4oc5cc(-c6nc7ccccc7o6)ccc5c34)n2)cc1.
What is the InChIKey of 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole?
The InChIKey is YJFHVILHRYISGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O2/c1-4-16-33(17-5-1)49-55-50(39-23-14-26-42-47(39)37-22-10-11-25-41(37)53(42,35-18-6-2-7-19-35)36-20-8-3-9-21-36)57-51(56-49)40-24-15-29-45-48(40)38-31-30-34(32-46(38)58-45)52-54-43-27-12-13-28-44(43)59-52/h1-32H.
What are the key properties of 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole?
2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole has a molecular weight of 756.87 g/mol, XLogP of 12.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 149367875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).