2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine

C39H25N3O2 — CID 167007821

IUPAC2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=Cc2c(oc3ccccc23)C(c2nc(-c3ccccc3)nc(-c3cccc4oc5cccc(-c6ccccc6)c5c34)n2)C1
InChIInChI=1S/C39H25N3O2/c1-3-12-24(13-4-1)26-17-10-22-32-34(26)35-29(19-11-23-33(35)43-32)38-40-37(25-14-5-2-6-15-25)41-39(42-38)30-20-9-18-28-27-16-7-8-21-31(27)44-36(28)30/h1-19,21-23,30H,20H2
InChIKeyLPKQKOOBCDCSLV-UHFFFAOYSA-N
MW567.65 g/mol
LogP10.07
Rot. Bonds4

About 2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 167007821) has the molecular formula C39H25N3O2 and a molecular weight of 567.65 g/mol. Its IUPAC name is 2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID167007821
Molecular FormulaC39H25N3O2
Molecular Weight567.65 g/mol
Exact Mass567.19
IUPAC Name2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=Cc2c(oc3ccccc23)C(c2nc(-c3ccccc3)nc(-c3cccc4oc5cccc(-c6ccccc6)c5c34)n2)C1
InChIInChI=1S/C39H25N3O2/c1-3-12-24(13-4-1)26-17-10-22-32-34(26)35-29(19-11-23-33(35)43-32)38-40-37(25-14-5-2-6-15-25)41-39(42-38)30-20-9-18-28-27-16-7-8-21-31(27)44-36(28)30/h1-19,21-23,30H,20H2
InChIKeyLPKQKOOBCDCSLV-UHFFFAOYSA-N
XLogP10.07
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.65
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-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-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 153193709
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2-phenyl-4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741510
2-dibenzofuran-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741551
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170145405
2-(9-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742190
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine
CID 174316211
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 167007821) is 2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine is C1=Cc2c(oc3ccccc23)C(c2nc(-c3ccccc3)nc(-c3cccc4oc5cccc(-c6ccccc6)c5c34)n2)C1.
What is the InChIKey of 2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is LPKQKOOBCDCSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O2/c1-3-12-24(13-4-1)26-17-10-22-32-34(26)35-29(19-11-23-33(35)43-32)38-40-37(25-14-5-2-6-15-25)41-39(42-38)30-20-9-18-28-27-16-7-8-21-31(27)44-36(28)30/h1-19,21-23,30H,20H2.
What are the key properties of 2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine?
2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 567.65 g/mol, XLogP of 10.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 167007821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).