2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine

C28H20BrN3O — CID 155201291

IUPAC2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1ccc2c(c1)oc1ccc(Br)cc12
InChIInChI=1S/C28H20BrN3O/c1-32-27(19-10-6-3-7-11-19)30-26(18-8-4-2-5-9-18)31-28(32)20-12-14-22-23-17-21(29)13-15-24(23)33-25(22)16-20/h2-17,28H,1H3
InChIKeyWVJORDSEVDKPIT-UHFFFAOYSA-N
MW494.39 g/mol
LogP7.19
Rot. Bonds3

About 2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine

2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine (PubChem CID 155201291) has the molecular formula C28H20BrN3O and a molecular weight of 494.39 g/mol. Its IUPAC name is 2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine
PubChem CID155201291
Molecular FormulaC28H20BrN3O
Molecular Weight494.39 g/mol
Exact Mass493.08
IUPAC Name2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1ccc2c(c1)oc1ccc(Br)cc12
InChIInChI=1S/C28H20BrN3O/c1-32-27(19-10-6-3-7-11-19)30-26(18-8-4-2-5-9-18)31-28(32)20-12-14-22-23-17-21(29)13-15-24(23)33-25(22)16-20/h2-17,28H,1H3
InChIKeyWVJORDSEVDKPIT-UHFFFAOYSA-N
XLogP7.19
TPSA41.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.39
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147340530
1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine
CID 170230680
4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine
CID 170004068
2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139551278
10-methyl-9,22-diphenyl-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,12,14,16(29),17(28),18,20,23,25-tetradecaene
CID 138601064
2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one
CID 156646879
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
16-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 145110153
4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile
CID 163672224
3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
2-(18-bromo-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 146664441
2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine
CID 170132488

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine?
The IUPAC name of 2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine (CID 155201291) is 2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine.
What is the SMILES notation for 2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine?
The canonical SMILES for 2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine is CN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1ccc2c(c1)oc1ccc(Br)cc12.
What is the InChIKey of 2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine?
The InChIKey is WVJORDSEVDKPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BrN3O/c1-32-27(19-10-6-3-7-11-19)30-26(18-8-4-2-5-9-18)31-28(32)20-12-14-22-23-17-21(29)13-15-24(23)33-25(22)16-20/h2-17,28H,1H3.
What are the key properties of 2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine?
2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine has a molecular weight of 494.39 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine is sourced from PubChem (CID 155201291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).