2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

C37H21N3OS — CID 163634293

IUPAC2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)c([2H])c1[2H]
InChIInChI=1S/C37H21N3OS/c1-2-8-22(9-3-1)35-38-36(40-37(39-35)26-15-17-34-30(20-26)27-12-6-7-13-33(27)42-34)25-14-16-31-28(19-25)29-18-23-10-4-5-11-24(23)21-32(29)41-31/h1-21H/i1D,2D,3D,8D,9D
InChIKeyKPBYUELYNCBQLT-NWCULCSXSA-N
MW560.69 g/mol
LogP10.29
Rot. Bonds3

About 2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (PubChem CID 163634293) has the molecular formula C37H21N3OS and a molecular weight of 560.69 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
PubChem CID163634293
Molecular FormulaC37H21N3OS
Molecular Weight560.69 g/mol
Exact Mass560.17
IUPAC Name2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)c([2H])c1[2H]
InChIInChI=1S/C37H21N3OS/c1-2-8-22(9-3-1)35-38-36(40-37(39-35)26-15-17-34-30(20-26)27-12-6-7-13-33(27)42-34)25-14-16-31-28(19-25)29-18-23-10-4-5-11-24(23)21-32(29)41-31/h1-21H/i1D,2D,3D,8D,9D
InChIKeyKPBYUELYNCBQLT-NWCULCSXSA-N
XLogP10.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.69
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-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-naphtho[2,3-b][1]benzofuran-2-yl-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 163512941
2-(7-dibenzothiophen-4-yldibenzofuran-2-yl)-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 168769925
2-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 168769762
2-dibenzothiophen-2-yl-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597424
2-(7-dibenzothiophen-4-yldibenzofuran-2-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168769827
2-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 169059342
2-[8-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191928
2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 153288146
2-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 170521710
2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
CID 176755171
2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 163634296
7-dibenzothiophen-2-yl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 153303323

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (CID 163634293) is 2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)c([2H])c1[2H].
What is the InChIKey of 2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
The InChIKey is KPBYUELYNCBQLT-NWCULCSXSA-N. The full InChI is InChI=1S/C37H21N3OS/c1-2-8-22(9-3-1)35-38-36(40-37(39-35)26-15-17-34-30(20-26)27-12-6-7-13-33(27)42-34)25-14-16-31-28(19-25)29-18-23-10-4-5-11-24(23)21-32(29)41-31/h1-21H/i1D,2D,3D,8D,9D.
What are the key properties of 2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?
2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine has a molecular weight of 560.69 g/mol, XLogP of 10.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is sourced from PubChem (CID 163634293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).