4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium

C45H28N3O2S+ — CID 163847014

IUPAC4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium
SMILESc1ccc(C2NC(c3ccc4oc5ccc(-c6cccc7c6sc6ccccc67)cc5c4c3)=NC(c3cccc4oc5ccccc5c34)=[NH+]2)cc1
InChIInChI=1S/C45H27N3O2S/c1-2-10-26(11-3-1)43-46-44(48-45(47-43)33-16-9-18-39-41(33)32-13-4-6-17-36(32)50-39)28-21-23-38-35(25-28)34-24-27(20-22-37(34)49-38)29-14-8-15-31-30-12-5-7-19-40(30)51-42(29)31/h1-25,43H,(H,46,47,48)/p+1
InChIKeyORBIKPRVSQGRBS-UHFFFAOYSA-O
MW674.81 g/mol
LogP10.10
Rot. Bonds4

About 4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium

4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium (PubChem CID 163847014) has the molecular formula C45H28N3O2S+ and a molecular weight of 674.81 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium
PubChem CID163847014
Molecular FormulaC45H28N3O2S+
Molecular Weight674.81 g/mol
Exact Mass674.19
IUPAC Name4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium
SMILESc1ccc(C2NC(c3ccc4oc5ccc(-c6cccc7c6sc6ccccc67)cc5c4c3)=NC(c3cccc4oc5ccccc5c34)=[NH+]2)cc1
InChIInChI=1S/C45H27N3O2S/c1-2-10-26(11-3-1)43-46-44(48-45(47-43)33-16-9-18-39-41(33)32-13-4-6-17-36(32)50-39)28-21-23-38-35(25-28)34-24-27(20-22-37(34)49-38)29-14-8-15-31-30-12-5-7-19-40(30)51-42(29)31/h1-25,43H,(H,46,47,48)/p+1
InChIKeyORBIKPRVSQGRBS-UHFFFAOYSA-O
XLogP10.10
TPSA64.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.81
LogP ≤ 510.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium 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-dibenzothiophen-4-yldibenzofuran
CID 137466632
4-dibenzofuran-3-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163881109
(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 166744213
2-dibenzofuran-4-yl-6-(7-dibenzothiophen-4-yldibenzofuran-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146541771
2-dibenzofuran-1-yl-4-(7-dibenzothiophen-4-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazinane
CID 146541752
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazinane
CID 146541996
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860
20-dibenzothiophen-4-yl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348416
2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139549065
6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 170364065
2-dibenzothiophen-2-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(6-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 158245643

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium?
The IUPAC name of 4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium (CID 163847014) is 4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium.
What is the SMILES notation for 4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium?
The canonical SMILES for 4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium is c1ccc(C2NC(c3ccc4oc5ccc(-c6cccc7c6sc6ccccc67)cc5c4c3)=NC(c3cccc4oc5ccccc5c34)=[NH+]2)cc1.
What is the InChIKey of 4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium?
The InChIKey is ORBIKPRVSQGRBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C45H27N3O2S/c1-2-10-26(11-3-1)43-46-44(48-45(47-43)33-16-9-18-39-41(33)32-13-4-6-17-36(32)50-39)28-21-23-38-35(25-28)34-24-27(20-22-37(34)49-38)29-14-8-15-31-30-12-5-7-19-40(30)51-42(29)31/h1-25,43H,(H,46,47,48)/p+1.
What are the key properties of 4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium?
4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium has a molecular weight of 674.81 g/mol, XLogP of 10.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-3-ium is sourced from PubChem (CID 163847014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).