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

C45H27N3O2 — CID 153215497

IUPAC2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4cccc(-c6ccc7c(c6)oc6ccccc67)c45)c3)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-3-12-28(13-4-1)43-46-44(29-14-5-2-6-15-29)48-45(47-43)32-17-9-16-30(26-32)34-20-10-21-37-41-33(19-11-23-39(41)50-42(34)37)31-24-25-36-35-18-7-8-22-38(35)49-40(36)27-31/h1-27H
InChIKeyWMPYQUYVRWUURK-UHFFFAOYSA-N
MW641.73 g/mol
LogP12.01
Rot. Bonds5

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

2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 153215497) has the molecular formula C45H27N3O2 and a molecular weight of 641.73 g/mol. Its IUPAC name is 2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID153215497
Molecular FormulaC45H27N3O2
Molecular Weight641.73 g/mol
Exact Mass641.21
IUPAC Name2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4cccc(-c6ccc7c(c6)oc6ccccc67)c45)c3)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-3-12-28(13-4-1)43-46-44(29-14-5-2-6-15-29)48-45(47-43)32-17-9-16-30(26-32)34-20-10-21-37-41-33(19-11-23-39(41)50-42(34)37)31-24-25-36-35-18-7-8-22-38(35)49-40(36)27-31/h1-27H
InChIKeyWMPYQUYVRWUURK-UHFFFAOYSA-N
XLogP12.01
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzofuran-3-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166952205
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-dibenzofuran-3-yl-4-[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]-6-phenyl-1,3,5-triazine
CID 146431709
2-dibenzofuran-3-yl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[9-(4-naphthalen-1-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 164954523
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741524
2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163803934
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
2-phenyl-4-[7-(4-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206981
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077748

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 153215497) is 2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4cccc(-c6ccc7c(c6)oc6ccccc67)c45)c3)n2)cc1.
What is the InChIKey of 2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is WMPYQUYVRWUURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2/c1-3-12-28(13-4-1)43-46-44(29-14-5-2-6-15-29)48-45(47-43)32-17-9-16-30(26-32)34-20-10-21-37-41-33(19-11-23-39(41)50-42(34)37)31-24-25-36-35-18-7-8-22-38(35)49-40(36)27-31/h1-27H.
What are the key properties of 2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 641.73 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 153215497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).