9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole

C51H34N4S2 — CID 166962280

IUPAC9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4sc5cc(-c6cccc7sc8cccc(-n9c%10ccccc%10c%10ccccc%109)c8c67)ccc5c34)N2)cc1
InChIInChI=1S/C51H34N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)38-21-12-25-42-46(38)37-29-28-33(30-45(37)57-42)34-20-11-26-43-47(34)48-41(24-13-27-44(48)56-43)55-39-22-9-7-18-35(39)36-19-8-10-23-40(36)55/h1-30,49,51,53H,(H,52,54)
InChIKeyCUCXKWCCWYTJFJ-UHFFFAOYSA-N
MW767.00 g/mol
LogP13.52
Rot. Bonds5

About 9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole

9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole (PubChem CID 166962280) has the molecular formula C51H34N4S2 and a molecular weight of 767.00 g/mol. Its IUPAC name is 9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole.

Molecular Properties

Compound Name9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole
PubChem CID166962280
Molecular FormulaC51H34N4S2
Molecular Weight767.00 g/mol
Exact Mass766.22
IUPAC Name9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4sc5cc(-c6cccc7sc8cccc(-n9c%10ccccc%10c%10ccccc%109)c8c67)ccc5c34)N2)cc1
InChIInChI=1S/C51H34N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)38-21-12-25-42-46(38)37-29-28-33(30-45(37)57-42)34-20-11-26-43-47(34)48-41(24-13-27-44(48)56-43)55-39-22-9-7-18-35(39)36-19-8-10-23-40(36)55/h1-30,49,51,53H,(H,52,54)
InChIKeyCUCXKWCCWYTJFJ-UHFFFAOYSA-N
XLogP13.52
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.00
LogP ≤ 513.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole with MolForge

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Related Compounds

9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 166962590
9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole
CID 146664344
9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole
CID 166962389
9-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174269557
9-[6-[9-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 166962038
9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 166962088
9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
CID 163525091
9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole
CID 163636411
9-[8-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-3-yl]carbazole
CID 166962316
9-[7-[7-(4,6-diphenyl-1,5-diaza-3-azanidacyclohex-5-en-2-yl)dibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
CID 163570136
6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146541783
9-[8-[9-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]carbazole
CID 166962160

Frequently Asked Questions

What is the IUPAC name of 9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole?
The IUPAC name of 9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole (CID 166962280) is 9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole.
What is the SMILES notation for 9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole?
The canonical SMILES for 9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cccc4sc5cc(-c6cccc7sc8cccc(-n9c%10ccccc%10c%10ccccc%109)c8c67)ccc5c34)N2)cc1.
What is the InChIKey of 9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole?
The InChIKey is CUCXKWCCWYTJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)38-21-12-25-42-46(38)37-29-28-33(30-45(37)57-42)34-20-11-26-43-47(34)48-41(24-13-27-44(48)56-43)55-39-22-9-7-18-35(39)36-19-8-10-23-40(36)55/h1-30,49,51,53H,(H,52,54).
What are the key properties of 9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole?
9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole has a molecular weight of 767.00 g/mol, XLogP of 13.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole is sourced from PubChem (CID 166962280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).