2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine

C33H20BrN3O — CID 155203519

IUPAC2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
SMILESBrc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)c2)c1
InChIInChI=1S/C33H20BrN3O/c34-26-13-7-11-23(19-26)22-10-6-12-24(18-22)32-35-31(21-8-2-1-3-9-21)36-33(37-32)25-16-17-30-28(20-25)27-14-4-5-15-29(27)38-30/h1-20H
InChIKeyCSIULNYBXQSBTA-UHFFFAOYSA-N
MW554.45 g/mol
LogP9.20
Rot. Bonds4

About 2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine

2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 155203519) has the molecular formula C33H20BrN3O and a molecular weight of 554.45 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
PubChem CID155203519
Molecular FormulaC33H20BrN3O
Molecular Weight554.45 g/mol
Exact Mass553.08
IUPAC Name2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
SMILESBrc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)c2)c1
InChIInChI=1S/C33H20BrN3O/c34-26-13-7-11-23(19-26)22-10-6-12-24(18-22)32-35-31(21-8-2-1-3-9-21)36-33(37-32)25-16-17-30-28(20-25)27-14-4-5-15-29(27)38-30/h1-20H
InChIKeyCSIULNYBXQSBTA-UHFFFAOYSA-N
XLogP9.20
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.45
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine
CID 156754970
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-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 155757967
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
2-(10-dibenzofuran-2-yltriphenylen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166925794
4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 147753692
2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 163895901
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-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine (CID 155203519) is 2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine is Brc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)c2)c1.
What is the InChIKey of 2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is CSIULNYBXQSBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20BrN3O/c34-26-13-7-11-23(19-26)22-10-6-12-24(18-22)32-35-31(21-8-2-1-3-9-21)36-33(37-32)25-16-17-30-28(20-25)27-14-4-5-15-29(27)38-30/h1-20H.
What are the key properties of 2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine?
2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 554.45 g/mol, XLogP of 9.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155203519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).