9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole

C44H25N5OS — CID 156577689

IUPAC9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3c(-n5c6ccccc6c6cccnc65)cccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C44H25N5OS/c1-2-12-26(13-3-1)41-46-42(48-43(47-41)34-20-9-18-31-28-15-5-7-24-37(28)51-40(31)34)33-19-8-16-29-30-17-10-23-36(39(30)50-38(29)33)49-35-22-6-4-14-27(35)32-21-11-25-45-44(32)49/h1-25H
InChIKeyYIPOWPSBZYREEY-UHFFFAOYSA-N
MW671.79 g/mol
LogP11.63
Rot. Bonds4

About 9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole

9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole (PubChem CID 156577689) has the molecular formula C44H25N5OS and a molecular weight of 671.79 g/mol. Its IUPAC name is 9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole
PubChem CID156577689
Molecular FormulaC44H25N5OS
Molecular Weight671.79 g/mol
Exact Mass671.18
IUPAC Name9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3c(-n5c6ccccc6c6cccnc65)cccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C44H25N5OS/c1-2-12-26(13-3-1)41-46-42(48-43(47-41)34-20-9-18-31-28-15-5-7-24-37(28)51-40(31)34)33-19-8-16-29-30-17-10-23-36(39(30)50-38(29)33)49-35-22-6-4-14-27(35)32-21-11-25-45-44(32)49/h1-25H
InChIKeyYIPOWPSBZYREEY-UHFFFAOYSA-N
XLogP11.63
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.79
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole 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

9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166953055
9-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]pyrido[2,3-b]indole
CID 156578047
9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
CID 156577666
9-[2-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167276199
2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496730
9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 163768926
9-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 156577740
9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
CID 166915189
9-[4-[4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]carbazole
CID 168831657
9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 156577755
5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158212770
3-dibenzothiophen-4-yl-9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9H-fluoren-3-yl]carbazole
CID 159957935

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole (CID 156577689) is 9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole is c1ccc(-c2nc(-c3cccc4c3oc3c(-n5c6ccccc6c6cccnc65)cccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole?
The InChIKey is YIPOWPSBZYREEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N5OS/c1-2-12-26(13-3-1)41-46-42(48-43(47-41)34-20-9-18-31-28-15-5-7-24-37(28)51-40(31)34)33-19-8-16-29-30-17-10-23-36(39(30)50-38(29)33)49-35-22-6-4-14-27(35)32-21-11-25-45-44(32)49/h1-25H.
What are the key properties of 9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole?
9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole has a molecular weight of 671.79 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 156577689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).