2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

C48H35N3O2 — CID 170220077

IUPAC2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESCC1C=Cc2c(oc3cccc(C4C=C(c5nc(C6=CC=C7C=Cc8ccccc8C7C6)nc(-c6ccccc6)n5)c5c(oc6ccccc56)C4)c23)C1
InChIInChI=1S/C48H35N3O2/c1-28-18-23-37-42(24-28)53-41-17-9-15-35(44(37)41)33-26-39(45-36-14-7-8-16-40(36)52-43(45)27-33)48-50-46(31-11-3-2-4-12-31)49-47(51-48)32-22-21-30-20-19-29-10-5-6-13-34(29)38(30)25-32/h2-23,26,28,33,38H,24-25,27H2,1H3
InChIKeyQOJPAZVFGQJUQK-UHFFFAOYSA-N
MW685.83 g/mol
LogP11.53
Rot. Bonds4

About 2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 170220077) has the molecular formula C48H35N3O2 and a molecular weight of 685.83 g/mol. Its IUPAC name is 2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID170220077
Molecular FormulaC48H35N3O2
Molecular Weight685.83 g/mol
Exact Mass685.27
IUPAC Name2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESCC1C=Cc2c(oc3cccc(C4C=C(c5nc(C6=CC=C7C=Cc8ccccc8C7C6)nc(-c6ccccc6)n5)c5c(oc6ccccc56)C4)c23)C1
InChIInChI=1S/C48H35N3O2/c1-28-18-23-37-42(24-28)53-41-17-9-15-35(44(37)41)33-26-39(45-36-14-7-8-16-40(36)52-43(45)27-33)48-50-46(31-11-3-2-4-12-31)49-47(51-48)32-22-21-30-20-19-29-10-5-6-13-34(29)38(30)25-32/h2-23,26,28,33,38H,24-25,27H2,1H3
InChIKeyQOJPAZVFGQJUQK-UHFFFAOYSA-N
XLogP11.53
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.83
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(3-dibenzofuran-1-yl-3,4-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170424302
2-(3,4-dihydrophenanthren-2-yl)-4-(3-naphthalen-2-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170218706
2-[3-(4-naphthalen-2-ylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170008177
2-dibenzofuran-3-yl-4-(7-dibenzothiophen-1-yl-3-methyl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170232402
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170145555
2-[3-methyl-9-(4-phenylphenyl)-3,4-dihydrodibenzofuran-1-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 170423054
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-6-(6-methyl-5,6-dihydronaphthalen-1-yl)-1,2,5,6-tetrahydro-[1]benzofuro[2,3-c]quinoline
CID 146489182
2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine
CID 170230544
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167008068
2-[4-(5,6-dihydronaphtho[2,1-b][1]benzofuran-5-yl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170145316
2-(3,4-dihydrodibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007462
9-methyl-3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)carbazole
CID 142540849

Frequently Asked Questions

What is the IUPAC name of 2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (CID 170220077) is 2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is CC1C=Cc2c(oc3cccc(C4C=C(c5nc(C6=CC=C7C=Cc8ccccc8C7C6)nc(-c6ccccc6)n5)c5c(oc6ccccc56)C4)c23)C1.
What is the InChIKey of 2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is QOJPAZVFGQJUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3O2/c1-28-18-23-37-42(24-28)53-41-17-9-15-35(44(37)41)33-26-39(45-36-14-7-8-16-40(36)52-43(45)27-33)48-50-46(31-11-3-2-4-12-31)49-47(51-48)32-22-21-30-20-19-29-10-5-6-13-34(29)38(30)25-32/h2-23,26,28,33,38H,24-25,27H2,1H3.
What are the key properties of 2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 685.83 g/mol, XLogP of 11.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4a-dihydrophenanthren-3-yl)-4-[3-(7-methyl-6,7-dihydrodibenzofuran-1-yl)-3,4-dihydrodibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170220077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).