2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine

C48H33N3O2 — CID 167007286

IUPAC2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1Cc2ccccc2C=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4cc(-c5cccc6oc7cc8c(cc7c56)CCC=C8)ccc4c23)n1
InChIInChI=1S/C48H33N3O2/c1-28-23-30-13-5-6-14-31(30)24-38(28)48-50-46(29-11-3-2-4-12-29)49-47(51-48)37-18-10-20-41-45(37)36-22-21-34(27-42(36)52-41)35-17-9-19-40-44(35)39-25-32-15-7-8-16-33(32)26-43(39)53-40/h2-6,8-14,16-22,24-28H,7,15,23H2,1H3
InChIKeyMINJMOKTQJWZLH-UHFFFAOYSA-N
MW683.81 g/mol
LogP12.36
Rot. Bonds4

About 2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine

2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 167007286) has the molecular formula C48H33N3O2 and a molecular weight of 683.81 g/mol. Its IUPAC name is 2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID167007286
Molecular FormulaC48H33N3O2
Molecular Weight683.81 g/mol
Exact Mass683.26
IUPAC Name2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1Cc2ccccc2C=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4cc(-c5cccc6oc7cc8c(cc7c56)CCC=C8)ccc4c23)n1
InChIInChI=1S/C48H33N3O2/c1-28-23-30-13-5-6-14-31(30)24-38(28)48-50-46(29-11-3-2-4-12-29)49-47(51-48)37-18-10-20-41-45(37)36-22-21-34(27-42(36)52-41)35-17-9-19-40-44(35)39-25-32-15-7-8-16-33(32)26-43(39)53-40/h2-6,8-14,16-22,24-28H,7,15,23H2,1H3
InChIKeyMINJMOKTQJWZLH-UHFFFAOYSA-N
XLogP12.36
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.81
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-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-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170123498
2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166656528
2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 167007994
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170020099
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2-dibenzofuran-1-yl-4-[6-(5,6-dihydronaphthalen-2-yl)naphthalen-2-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 170129630
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 170008977
2-dibenzofuran-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 157056344

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine (CID 167007286) is 2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine is CC1Cc2ccccc2C=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4cc(-c5cccc6oc7cc8c(cc7c56)CCC=C8)ccc4c23)n1.
What is the InChIKey of 2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is MINJMOKTQJWZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O2/c1-28-23-30-13-5-6-14-31(30)24-38(28)48-50-46(29-11-3-2-4-12-29)49-47(51-48)37-18-10-20-41-45(37)36-22-21-34(27-42(36)52-41)35-17-9-19-40-44(35)39-25-32-15-7-8-16-33(32)26-43(39)53-40/h2-6,8-14,16-22,24-28H,7,15,23H2,1H3.
What are the key properties of 2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 683.81 g/mol, XLogP of 12.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167007286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).