2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine

C33H18BrN3O2 — CID 156754970

IUPAC2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine
SMILESBrc1cccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c1
InChIInChI=1S/C33H18BrN3O2/c34-22-7-5-6-19(16-22)31-35-32(20-12-14-29-25(17-20)23-8-1-3-10-27(23)38-29)37-33(36-31)21-13-15-30-26(18-21)24-9-2-4-11-28(24)39-30/h1-18H
InChIKeyCGIVXODWKJHVQQ-UHFFFAOYSA-N
MW568.43 g/mol
LogP9.43
Rot. Bonds3

About 2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine

2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine (PubChem CID 156754970) has the molecular formula C33H18BrN3O2 and a molecular weight of 568.43 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine
PubChem CID156754970
Molecular FormulaC33H18BrN3O2
Molecular Weight568.43 g/mol
Exact Mass567.06
IUPAC Name2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine
SMILESBrc1cccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c1
InChIInChI=1S/C33H18BrN3O2/c34-22-7-5-6-19(16-22)31-35-32(20-12-14-29-25(17-20)23-8-1-3-10-27(23)38-29)37-33(36-31)21-13-15-30-26(18-21)24-9-2-4-11-28(24)39-30/h1-18H
InChIKeyCGIVXODWKJHVQQ-UHFFFAOYSA-N
XLogP9.43
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.43
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 155203519
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 155757967
2-[4-[3-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 155758053
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660
2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147340530
2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 146431776
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 147753692
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine (CID 156754970) is 2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine is Brc1cccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine?
The InChIKey is CGIVXODWKJHVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18BrN3O2/c34-22-7-5-6-19(16-22)31-35-32(20-12-14-29-25(17-20)23-8-1-3-10-27(23)38-29)37-33(36-31)21-13-15-30-26(18-21)24-9-2-4-11-28(24)39-30/h1-18H.
What are the key properties of 2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine?
2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine has a molecular weight of 568.43 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine is sourced from PubChem (CID 156754970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).