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

C57H37N3O — CID 177078968

IUPAC2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)c(-c3ccccc3)c(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C57H37N3O/c1-5-17-38(18-6-1)46-36-50(53(40-19-7-2-8-20-40)51(37-46)49-29-16-28-48-47-27-13-14-30-52(47)61-54(48)49)45-26-15-25-44(35-45)39-31-33-43(34-32-39)57-59-55(41-21-9-3-10-22-41)58-56(60-57)42-23-11-4-12-24-42/h1-37H
InChIKeyBMYSFBWKEKMXSS-UHFFFAOYSA-N
MW779.94 g/mol
LogP15.11
Rot. Bonds8

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

2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 177078968) has the molecular formula C57H37N3O and a molecular weight of 779.94 g/mol. Its IUPAC name is 2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID177078968
Molecular FormulaC57H37N3O
Molecular Weight779.94 g/mol
Exact Mass779.29
IUPAC Name2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)c(-c3ccccc3)c(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C57H37N3O/c1-5-17-38(18-6-1)46-36-50(53(40-19-7-2-8-20-40)51(37-46)49-29-16-28-48-47-27-13-14-30-52(47)61-54(48)49)45-26-15-25-44(35-45)39-31-33-43(34-32-39)57-59-55(41-21-9-3-10-22-41)58-56(60-57)42-23-11-4-12-24-42/h1-37H
InChIKeyBMYSFBWKEKMXSS-UHFFFAOYSA-N
XLogP15.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 177079021
2-dibenzofuran-4-yl-4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177079173
4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 177079215
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 177078939
2-[4-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078928
2,4-di(dibenzofuran-4-yl)-6-[2,4-diphenyl-6-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348909
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-dibenzofuran-1-yl-4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177079122
2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349302
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146431469

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 177078968) is 2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)c(-c3ccccc3)c(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is BMYSFBWKEKMXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O/c1-5-17-38(18-6-1)46-36-50(53(40-19-7-2-8-20-40)51(37-46)49-29-16-28-48-47-27-13-14-30-52(47)61-54(48)49)45-26-15-25-44(35-45)39-31-33-43(34-32-39)57-59-55(41-21-9-3-10-22-41)58-56(60-57)42-23-11-4-12-24-42/h1-37H.
What are the key properties of 2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 779.94 g/mol, XLogP of 15.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 177078968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).