9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline

C36H19ClN4O2 — CID 166502662

IUPAC9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2c1oc1cc3ccccc3nc12
InChIInChI=1S/C36H19ClN4O2/c37-25-18-17-24(31-32-29(43-33(25)31)19-21-11-4-6-14-26(21)38-32)36-40-34(20-9-2-1-3-10-20)39-35(41-36)23-13-8-16-28-30(23)22-12-5-7-15-27(22)42-28/h1-19H
InChIKeyODJJGVSRUVWQHY-UHFFFAOYSA-N
MW575.03 g/mol
LogP9.87
Rot. Bonds3

About 9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline

9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline (PubChem CID 166502662) has the molecular formula C36H19ClN4O2 and a molecular weight of 575.03 g/mol. Its IUPAC name is 9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline
PubChem CID166502662
Molecular FormulaC36H19ClN4O2
Molecular Weight575.03 g/mol
Exact Mass574.12
IUPAC Name9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2c1oc1cc3ccccc3nc12
InChIInChI=1S/C36H19ClN4O2/c37-25-18-17-24(31-32-29(43-33(25)31)19-21-11-4-6-14-26(21)38-32)36-40-34(20-9-2-1-3-10-20)39-35(41-36)23-13-8-16-28-30(23)22-12-5-7-15-27(22)42-28/h1-19H
InChIKeyODJJGVSRUVWQHY-UHFFFAOYSA-N
XLogP9.87
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.03
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[3,2-b]quinoline
CID 166502658
2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159529301
2-(4-chlorodibenzofuran-1-yl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743189
6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline
CID 166502391
7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline
CID 166502646
2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 135124545
2-dibenzofuran-1-yl-4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-8-yl)-6-phenyl-1,3,5-triazine
CID 166848478
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-b]quinoline;10-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-g]quinoline;12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 167554324
2-(6-chlorodibenzofuran-1-yl)-4-phenyl-6-triphenylen-1-yl-1,3,5-triazine
CID 147180477
4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166502415
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525

Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline (CID 166502662) is 9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2c1oc1cc3ccccc3nc12.
What is the InChIKey of 9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline?
The InChIKey is ODJJGVSRUVWQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19ClN4O2/c37-25-18-17-24(31-32-29(43-33(25)31)19-21-11-4-6-14-26(21)38-32)36-40-34(20-9-2-1-3-10-20)39-35(41-36)23-13-8-16-28-30(23)22-12-5-7-15-27(22)42-28/h1-19H.
What are the key properties of 9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline?
9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline has a molecular weight of 575.03 g/mol, XLogP of 9.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 166502662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).