2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine

C48H33N3O2 — CID 170230544

IUPAC2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)oc6ccccc67)cc5c34)n2)CC=C2C=Cc3ccccc3C2C1
InChIInChI=1S/C48H33N3O2/c1-48(25-24-30-19-18-29-10-5-6-13-34(29)39(30)28-48)47-50-45(31-11-3-2-4-12-31)49-46(51-47)37-15-9-17-42-44(37)38-26-32(21-23-41(38)52-42)33-20-22-36-35-14-7-8-16-40(35)53-43(36)27-33/h2-24,26-27,39H,25,28H2,1H3
InChIKeyKUSNNKFMQGRNPY-UHFFFAOYSA-N
MW683.81 g/mol
LogP12.46
Rot. Bonds4

About 2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine

2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170230544) has the molecular formula C48H33N3O2 and a molecular weight of 683.81 g/mol. Its IUPAC name is 2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine
PubChem CID170230544
Molecular FormulaC48H33N3O2
Molecular Weight683.81 g/mol
Exact Mass683.26
IUPAC Name2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)oc6ccccc67)cc5c34)n2)CC=C2C=Cc3ccccc3C2C1
InChIInChI=1S/C48H33N3O2/c1-48(25-24-30-19-18-29-10-5-6-13-34(29)39(30)28-48)47-50-45(31-11-3-2-4-12-31)49-46(51-47)37-15-9-17-42-44(37)38-26-32(21-23-41(38)52-42)33-20-22-36-35-14-7-8-16-40(35)53-43(36)27-33/h2-24,26-27,39H,25,28H2,1H3
InChIKeyKUSNNKFMQGRNPY-UHFFFAOYSA-N
XLogP12.46
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 ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 140946348
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742625
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146937839
2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 156522941
2-(8-chrysen-2-yldibenzofuran-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 140946810
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
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002484
8-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170947083

Frequently Asked Questions

What is the IUPAC name of 2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 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) is 2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine is CC1(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)oc6ccccc67)cc5c34)n2)CC=C2C=Cc3ccccc3C2C1.
What is the InChIKey of 2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is KUSNNKFMQGRNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O2/c1-48(25-24-30-19-18-29-10-5-6-13-34(29)39(30)28-48)47-50-45(31-11-3-2-4-12-31)49-46(51-47)37-15-9-17-42-44(37)38-26-32(21-23-41(38)52-42)33-20-22-36-35-14-7-8-16-40(35)53-43(36)27-33/h2-24,26-27,39H,25,28H2,1H3.
What are the key properties of 2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine?
2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 683.81 g/mol, XLogP of 12.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-dibenzofuran-3-yldibenzofuran-1-yl)-4-(3-methyl-4,4a-dihydro-2H-phenanthren-3-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170230544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).