2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine

C47H27N3OS — CID 164989697

IUPAC2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccc(-c4ccc5ccccc5c4)c4oc5cc6ccccc6cc5c34)n2)cc1
InChIInChI=1S/C47H27N3OS/c1-2-11-29(12-3-1)45-48-46(34-20-23-42-38(26-34)36-16-8-9-17-41(36)52-42)50-47(49-45)37-22-21-35(33-19-18-28-10-4-5-13-30(28)24-33)44-43(37)39-25-31-14-6-7-15-32(31)27-40(39)51-44/h1-27H
InChIKeyHXADYBLGOFVCSD-UHFFFAOYSA-N
MW681.82 g/mol
LogP13.11
Rot. Bonds4

About 2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 164989697) has the molecular formula C47H27N3OS and a molecular weight of 681.82 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID164989697
Molecular FormulaC47H27N3OS
Molecular Weight681.82 g/mol
Exact Mass681.19
IUPAC Name2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccc(-c4ccc5ccccc5c4)c4oc5cc6ccccc6cc5c34)n2)cc1
InChIInChI=1S/C47H27N3OS/c1-2-11-29(12-3-1)45-48-46(34-20-23-42-38(26-34)36-16-8-9-17-41(36)52-42)50-47(49-45)37-22-21-35(33-19-18-28-10-4-5-13-30(28)24-33)44-43(37)39-25-31-14-6-7-15-32(31)27-40(39)51-44/h1-27H
InChIKeyHXADYBLGOFVCSD-UHFFFAOYSA-N
XLogP13.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.82
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-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-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine
CID 166975065
2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 163634296
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 165026780
2-chrysen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167403122
2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 165038235
2-naphthalen-2-yl-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 174245007
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine
CID 166867460
2-dibenzofuran-2-yl-4-[4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164969242
2-[5-(4-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzothiophen-2-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743502
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 165062826
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 171755430
2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 171754779

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 164989697) is 2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccc(-c4ccc5ccccc5c4)c4oc5cc6ccccc6cc5c34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is HXADYBLGOFVCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3OS/c1-2-11-29(12-3-1)45-48-46(34-20-23-42-38(26-34)36-16-8-9-17-41(36)52-42)50-47(49-45)37-22-21-35(33-19-18-28-10-4-5-13-30(28)24-33)44-43(37)39-25-31-14-6-7-15-32(31)27-40(39)51-44/h1-27H.
What are the key properties of 2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 681.82 g/mol, XLogP of 13.11, 4 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-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 164989697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).