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

C27H16BrN3O — CID 147340530

IUPAC2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2c1
InChIInChI=1S/C27H16BrN3O/c28-20-12-14-23-22(16-20)21-13-11-19(15-24(21)32-23)27-30-25(17-7-3-1-4-8-17)29-26(31-27)18-9-5-2-6-10-18/h1-16H
InChIKeyDDJTYMAJSUAEOM-UHFFFAOYSA-N
MW478.35 g/mol
LogP7.53
Rot. Bonds3

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

2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 147340530) has the molecular formula C27H16BrN3O and a molecular weight of 478.35 g/mol. Its IUPAC name is 2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID147340530
Molecular FormulaC27H16BrN3O
Molecular Weight478.35 g/mol
Exact Mass477.05
IUPAC Name2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2c1
InChIInChI=1S/C27H16BrN3O/c28-20-12-14-23-22(16-20)21-13-11-19(15-24(21)32-23)27-30-25(17-7-3-1-4-8-17)29-26(31-27)18-9-5-2-6-10-18/h1-16H
InChIKeyDDJTYMAJSUAEOM-UHFFFAOYSA-N
XLogP7.53
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.35
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 155757967
2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene
CID 142293061
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine (CID 147340530) is 2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine is Brc1ccc2oc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c2c1.
What is the InChIKey of 2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DDJTYMAJSUAEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16BrN3O/c28-20-12-14-23-22(16-20)21-13-11-19(15-24(21)32-23)27-30-25(17-7-3-1-4-8-17)29-26(31-27)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 478.35 g/mol, XLogP of 7.53, 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)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 147340530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).