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

C58H37N3O — CID 146581940

IUPAC2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc(C6(c7ccc8c(c7)oc7ccccc78)c7ccccc7-c7ccccc76)cc5)cc4)c3)n2)cc1
InChIInChI=1S/C58H37N3O/c1-3-14-41(15-4-1)55-59-56(42-16-5-2-6-17-42)61-57(60-55)44-19-13-18-43(36-44)40-28-26-38(27-29-40)39-30-32-45(33-31-39)58(51-23-10-7-20-47(51)48-21-8-11-24-52(48)58)46-34-35-50-49-22-9-12-25-53(49)62-54(50)37-46/h1-37H
InChIKeyANFLOQBCLISSCE-UHFFFAOYSA-N
MW791.95 g/mol
LogP14.47
Rot. Bonds7

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

2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146581940) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID146581940
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc(C6(c7ccc8c(c7)oc7ccccc78)c7ccccc7-c7ccccc76)cc5)cc4)c3)n2)cc1
InChIInChI=1S/C58H37N3O/c1-3-14-41(15-4-1)55-59-56(42-16-5-2-6-17-42)61-57(60-55)44-19-13-18-43(36-44)40-28-26-38(27-29-40)39-30-32-45(33-31-39)58(51-23-10-7-20-47(51)48-21-8-11-24-52(48)58)46-34-35-50-49-22-9-12-25-53(49)62-54(50)37-46/h1-37H
InChIKeyANFLOQBCLISSCE-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-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146581865
2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 162487492
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-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581933
2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581949
2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 162487312
6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 146582063
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
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
2-dibenzofuran-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821113
2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 162487345
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581682

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 146581940) is 2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc(C6(c7ccc8c(c7)oc7ccccc78)c7ccccc7-c7ccccc76)cc5)cc4)c3)n2)cc1.
What is the InChIKey of 2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ANFLOQBCLISSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-3-14-41(15-4-1)55-59-56(42-16-5-2-6-17-42)61-57(60-55)44-19-13-18-43(36-44)40-28-26-38(27-29-40)39-30-32-45(33-31-39)58(51-23-10-7-20-47(51)48-21-8-11-24-52(48)58)46-34-35-50-49-22-9-12-25-53(49)62-54(50)37-46/h1-37H.
What are the key properties of 2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-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-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146581940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).