2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine

C44H35N3O — CID 145016952

IUPAC2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine
SMILESC=Cc1c(-c2ccccc2C)ccc(-c2ccccc2Cc2nc(-c3ccccc3)nc(C3C=CC=C4Oc5ccccc5C43)n2)c1C
InChIInChI=1S/C44H35N3O/c1-4-32-29(3)34(25-26-36(32)33-19-10-8-15-28(33)2)35-20-11-9-18-31(35)27-41-45-43(30-16-6-5-7-17-30)47-44(46-41)38-22-14-24-40-42(38)37-21-12-13-23-39(37)48-40/h4-26,38,42H,1,27H2,2-3H3
InChIKeyXTWWFGGMSHUWID-UHFFFAOYSA-N
MW621.78 g/mol
LogP10.44
Rot. Bonds7

About 2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine

2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine (PubChem CID 145016952) has the molecular formula C44H35N3O and a molecular weight of 621.78 g/mol. Its IUPAC name is 2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine
PubChem CID145016952
Molecular FormulaC44H35N3O
Molecular Weight621.78 g/mol
Exact Mass621.28
IUPAC Name2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine
SMILESC=Cc1c(-c2ccccc2C)ccc(-c2ccccc2Cc2nc(-c3ccccc3)nc(C3C=CC=C4Oc5ccccc5C43)n2)c1C
InChIInChI=1S/C44H35N3O/c1-4-32-29(3)34(25-26-36(32)33-19-10-8-15-28(33)2)35-20-11-9-18-31(35)27-41-45-43(30-16-6-5-7-17-30)47-44(46-41)38-22-14-24-40-42(38)37-21-12-13-23-39(37)48-40/h4-26,38,42H,1,27H2,2-3H3
InChIKeyXTWWFGGMSHUWID-UHFFFAOYSA-N
XLogP10.44
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.78
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-chloro-1,9b-dihydrodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 163847764
2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 163645476
2-[3-methyl-4-(2-methylphenyl)phenyl]-4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379362
2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166741609
1-benzyl-2-ethenyl-3-methylbenzene
CID 140517304
4-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,10,12,15(20),16,18-octaen-17-yl)phenyl]-2,6-diphenylpyrimidine
CID 137420522
1-[4-[3-[[2-(2-methylphenyl)phenyl]methyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
CID 163586417
2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile
CID 168731978
2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927310
2-methyl-4-[2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 145017131
4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 155442583
2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927343

Frequently Asked Questions

What is the IUPAC name of 2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine (CID 145016952) is 2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine is C=Cc1c(-c2ccccc2C)ccc(-c2ccccc2Cc2nc(-c3ccccc3)nc(C3C=CC=C4Oc5ccccc5C43)n2)c1C.
What is the InChIKey of 2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine?
The InChIKey is XTWWFGGMSHUWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3O/c1-4-32-29(3)34(25-26-36(32)33-19-10-8-15-28(33)2)35-20-11-9-18-31(35)27-41-45-43(30-16-6-5-7-17-30)47-44(46-41)38-22-14-24-40-42(38)37-21-12-13-23-39(37)48-40/h4-26,38,42H,1,27H2,2-3H3.
What are the key properties of 2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine?
2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine has a molecular weight of 621.78 g/mol, XLogP of 10.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9b-dihydrodibenzofuran-1-yl)-4-[[2-[3-ethenyl-2-methyl-4-(2-methylphenyl)phenyl]phenyl]methyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 145016952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).