2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C43H29N3O — CID 167008024

IUPAC2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)n2)Cc2ccccc21
InChIInChI=1S/C43H29N3O/c1-2-11-28(12-3-1)31-15-8-17-33(25-31)41-44-42(46-43(45-41)35-24-23-29-13-4-5-14-30(29)26-35)34-18-9-16-32(27-34)36-20-10-22-39-40(36)37-19-6-7-21-38(37)47-39/h1-25,27,35H,26H2
InChIKeyKTIFZDCLCVJOPV-UHFFFAOYSA-N
MW603.73 g/mol
LogP10.79
Rot. Bonds5

About 2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 167008024) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID167008024
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)n2)Cc2ccccc21
InChIInChI=1S/C43H29N3O/c1-2-11-28(12-3-1)31-15-8-17-33(25-31)41-44-42(46-43(45-41)35-24-23-29-13-4-5-14-30(29)26-35)34-18-9-16-32(27-34)36-20-10-22-39-40(36)37-19-6-7-21-38(37)47-39/h1-25,27,35H,26H2
InChIKeyKTIFZDCLCVJOPV-UHFFFAOYSA-N
XLogP10.79
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-dibenzofuran-1-yldibenzofuran-1-yl)-4-(1,2-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170009033
2-(1,2-dihydronaphthalen-2-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007887
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 170013631
2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167182670
2-(1,2-dihydronaphthalen-2-yl)-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170422642
2-(1,2-dihydronaphthalen-2-yl)-4-(9-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009870
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170123189
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine
CID 174316211
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170237130

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 167008024) is 2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine is C1=CC(c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)n2)Cc2ccccc21.
What is the InChIKey of 2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is KTIFZDCLCVJOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-2-11-28(12-3-1)31-15-8-17-33(25-31)41-44-42(46-43(45-41)35-24-23-29-13-4-5-14-30(29)26-35)34-18-9-16-32(27-34)36-20-10-22-39-40(36)37-19-6-7-21-38(37)47-39/h1-25,27,35H,26H2.
What are the key properties of 2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 603.73 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167008024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).