2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine

C49H29N3O2 — CID 176817775

IUPAC2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3oc4c5ccccc5c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc5)cc4c3c2)cc1
InChIInChI=1S/C49H29N3O2/c1-3-11-30(12-4-1)34-24-26-44-41(27-34)42-29-40(36-15-7-8-17-39(36)46(42)54-44)31-19-21-33(22-20-31)48-50-47(32-13-5-2-6-14-32)51-49(52-48)35-23-25-38-37-16-9-10-18-43(37)53-45(38)28-35/h1-29H
InChIKeyXYNOCCCDJTYNLZ-UHFFFAOYSA-N
MW691.79 g/mol
LogP13.16
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine

2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine (PubChem CID 176817775) has the molecular formula C49H29N3O2 and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
PubChem CID176817775
Molecular FormulaC49H29N3O2
Molecular Weight691.79 g/mol
Exact Mass691.23
IUPAC Name2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3oc4c5ccccc5c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc5)cc4c3c2)cc1
InChIInChI=1S/C49H29N3O2/c1-3-11-30(12-4-1)34-24-26-44-41(27-34)42-29-40(36-15-7-8-17-39(36)46(42)54-44)31-19-21-33(22-20-31)48-50-47(32-13-5-2-6-14-32)51-49(52-48)35-23-25-38-37-16-9-10-18-43(37)53-45(38)28-35/h1-29H
InChIKeyXYNOCCCDJTYNLZ-UHFFFAOYSA-N
XLogP13.16
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-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-2-yl-4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 169048833
2,4-diphenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853604
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine
CID 167402325
2-dibenzofuran-4-yl-4-phenyl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 176817867
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796
2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143677
2-phenyl-4-(3-phenylphenyl)-6-[4-(5-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 164834752
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine (CID 176817775) is 2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3oc4c5ccccc5c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc5)cc4c3c2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine?
The InChIKey is XYNOCCCDJTYNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2/c1-3-11-30(12-4-1)34-24-26-44-41(27-34)42-29-40(36-15-7-8-17-39(36)46(42)54-44)31-19-21-33(22-20-31)48-50-47(32-13-5-2-6-14-32)51-49(52-48)35-23-25-38-37-16-9-10-18-43(37)53-45(38)28-35/h1-29H.
What are the key properties of 2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine?
2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine has a molecular weight of 691.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 176817775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).