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

C45H26BrN3O2 — CID 155757994

IUPAC2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine
SMILESBrc1cccc(-c2ccc(-c3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6oc7ccccc7c56)n4)c3)cc2)c1
InChIInChI=1S/C45H26BrN3O2/c46-32-12-6-10-30(26-32)28-23-21-27(22-24-28)29-9-5-11-31(25-29)43-47-44(36-16-8-20-40-41(36)35-14-2-4-19-39(35)50-40)49-45(48-43)37-17-7-15-34-33-13-1-3-18-38(33)51-42(34)37/h1-26H
InChIKeyRSGRFXXQOSNNFY-UHFFFAOYSA-N
MW720.63 g/mol
LogP12.77
Rot. Bonds5

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

2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine (PubChem CID 155757994) has the molecular formula C45H26BrN3O2 and a molecular weight of 720.63 g/mol. Its IUPAC name is 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine
PubChem CID155757994
Molecular FormulaC45H26BrN3O2
Molecular Weight720.63 g/mol
Exact Mass719.12
IUPAC Name2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine
SMILESBrc1cccc(-c2ccc(-c3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6oc7ccccc7c56)n4)c3)cc2)c1
InChIInChI=1S/C45H26BrN3O2/c46-32-12-6-10-30(26-32)28-23-21-27(22-24-28)29-9-5-11-31(25-29)43-47-44(36-16-8-20-40-41(36)35-14-2-4-19-39(35)50-40)49-45(48-43)37-17-7-15-34-33-13-1-3-18-38(33)51-42(34)37/h1-26H
InChIKeyRSGRFXXQOSNNFY-UHFFFAOYSA-N
XLogP12.77
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.63
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 165018119
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 134199171
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078181
2-dibenzofuran-1-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818397

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine?
The IUPAC name of 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine (CID 155757994) is 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine?
The canonical SMILES for 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine is Brc1cccc(-c2ccc(-c3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6oc7ccccc7c56)n4)c3)cc2)c1.
What is the InChIKey of 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine?
The InChIKey is RSGRFXXQOSNNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26BrN3O2/c46-32-12-6-10-30(26-32)28-23-21-27(22-24-28)29-9-5-11-31(25-29)43-47-44(36-16-8-20-40-41(36)35-14-2-4-19-39(35)50-40)49-45(48-43)37-17-7-15-34-33-13-1-3-18-38(33)51-42(34)37/h1-26H.
What are the key properties of 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine?
2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine has a molecular weight of 720.63 g/mol, XLogP of 12.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazine is sourced from PubChem (CID 155757994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).