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

C44H25N5OS — CID 156577755

IUPAC9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3cc(-n5c6ccccc6c6cccnc65)ccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H25N5OS/c1-2-11-26(12-3-1)41-46-42(33-16-9-21-38-39(33)32-14-5-7-20-37(32)51-38)48-43(47-41)34-17-8-15-30-29-23-22-27(25-36(29)50-40(30)34)49-35-19-6-4-13-28(35)31-18-10-24-45-44(31)49/h1-25H
InChIKeyLBUVSUMXJXVEJR-UHFFFAOYSA-N
MW671.79 g/mol
LogP11.63
Rot. Bonds4

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

9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole (PubChem CID 156577755) has the molecular formula C44H25N5OS and a molecular weight of 671.79 g/mol. Its IUPAC name is 9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
PubChem CID156577755
Molecular FormulaC44H25N5OS
Molecular Weight671.79 g/mol
Exact Mass671.18
IUPAC Name9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3cc(-n5c6ccccc6c6cccnc65)ccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H25N5OS/c1-2-11-26(12-3-1)41-46-42(33-16-9-21-38-39(33)32-14-5-7-20-37(32)51-38)48-43(47-41)34-17-8-15-30-29-23-22-27(25-36(29)50-40(30)34)49-35-19-6-4-13-28(35)31-18-10-24-45-44(31)49/h1-25H
InChIKeyLBUVSUMXJXVEJR-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

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Related Compounds

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-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011026
5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014557
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011068
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl]carbazole
CID 162781376
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276097
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-17-yl]carbazole
CID 146664302
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169010650
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 169011493
9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-6-yl]carbazole
CID 146664314
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169010957
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole
CID 156578051

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole (CID 156577755) is 9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole is c1ccc(-c2nc(-c3cccc4c3oc3cc(-n5c6ccccc6c6cccnc65)ccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole?
The InChIKey is LBUVSUMXJXVEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N5OS/c1-2-11-26(12-3-1)41-46-42(33-16-9-21-38-39(33)32-14-5-7-20-37(32)51-38)48-43(47-41)34-17-8-15-30-29-23-22-27(25-36(29)50-40(30)34)49-35-19-6-4-13-28(35)31-18-10-24-45-44(31)49/h1-25H.
What are the key properties of 9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole?
9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 156577755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).