2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine

C43H23N3OS — CID 166848085

IUPAC2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3c4c(cc5sc6ccccc6c35)-c3cccc5cccc-4c35)n2)cc1
InChIInChI=1S/C43H23N3OS/c1-2-10-25(11-3-1)41-44-42(26-20-21-34-31(22-26)27-14-4-6-18-33(27)47-34)46-43(45-41)40-38-30-17-9-13-24-12-8-16-28(37(24)30)32(38)23-36-39(40)29-15-5-7-19-35(29)48-36/h1-23H
InChIKeyCQDRMAGDFVBVKT-UHFFFAOYSA-N
MW629.74 g/mol
LogP11.94
Rot. Bonds3

About 2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine

2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine (PubChem CID 166848085) has the molecular formula C43H23N3OS and a molecular weight of 629.74 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine
PubChem CID166848085
Molecular FormulaC43H23N3OS
Molecular Weight629.74 g/mol
Exact Mass629.16
IUPAC Name2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3c4c(cc5sc6ccccc6c35)-c3cccc5cccc-4c35)n2)cc1
InChIInChI=1S/C43H23N3OS/c1-2-10-25(11-3-1)41-44-42(26-20-21-34-31(22-26)27-14-4-6-18-33(27)47-34)46-43(45-41)40-38-30-17-9-13-24-12-8-16-28(37(24)30)32(38)23-36-39(40)29-15-5-7-19-35(29)48-36/h1-23H
InChIKeyCQDRMAGDFVBVKT-UHFFFAOYSA-N
XLogP11.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.74
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzofuran-2-yl-4-(2-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743290
2-dibenzofuran-1-yl-4-naphtho[3,2-b][1]benzothiol-11-yl-6-phenyl-1,3,5-triazine
CID 162712674
2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079039
2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 163612201
2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170363880
2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 149218724
2-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952912
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-dibenzofuran-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazine
CID 155050287
2-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952247
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378742
2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743677

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine (CID 166848085) is 2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3c4c(cc5sc6ccccc6c35)-c3cccc5cccc-4c35)n2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine?
The InChIKey is CQDRMAGDFVBVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H23N3OS/c1-2-10-25(11-3-1)41-44-42(26-20-21-34-31(22-26)27-14-4-6-18-33(27)47-34)46-43(45-41)40-38-30-17-9-13-24-12-8-16-28(37(24)30)32(38)23-36-39(40)29-15-5-7-19-35(29)48-36/h1-23H.
What are the key properties of 2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine?
2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine has a molecular weight of 629.74 g/mol, XLogP of 11.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-phenyl-6-(11-thiahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-1,3,5-triazine is sourced from PubChem (CID 166848085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).