9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole

C51H34N4S2 — CID 166962389

IUPAC9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4c3sc3cc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccc34)N2)cc1
InChIInChI=1S/C51H34N4S2/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)40-19-11-18-39-38-25-22-34(29-47(38)57-48(39)40)33-23-26-45-41(28-33)42-30-35(24-27-46(42)56-45)55-43-20-9-7-16-36(43)37-17-8-10-21-44(37)55/h1-30,49,51,53H,(H,52,54)
InChIKeyAUATWXKDQIJFCX-UHFFFAOYSA-N
MW767.00 g/mol
LogP13.52
Rot. Bonds5

About 9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole

9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole (PubChem CID 166962389) has the molecular formula C51H34N4S2 and a molecular weight of 767.00 g/mol. Its IUPAC name is 9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole
PubChem CID166962389
Molecular FormulaC51H34N4S2
Molecular Weight767.00 g/mol
Exact Mass766.22
IUPAC Name9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4c3sc3cc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccc34)N2)cc1
InChIInChI=1S/C51H34N4S2/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)40-19-11-18-39-38-25-22-34(29-47(38)57-48(39)40)33-23-26-45-41(28-33)42-30-35(24-27-46(42)56-45)55-43-20-9-7-16-36(43)37-17-8-10-21-44(37)55/h1-30,49,51,53H,(H,52,54)
InChIKeyAUATWXKDQIJFCX-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-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-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-[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-[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)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 166961997
3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 145064186
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 166962552
9-[17-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole
CID 146664251
12-[3-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166961184
12-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 145085099
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-[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
3-[4-[8-(8-carbazol-9-yldibenzofuran-3-yl)dibenzothiophen-3-yl]-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]benzonitrile
CID 166962442

Frequently Asked Questions

What is the IUPAC name of 9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 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) is 9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cccc4c3sc3cc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccc34)N2)cc1.
What is the InChIKey of 9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole?
The InChIKey is AUATWXKDQIJFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4S2/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)40-19-11-18-39-38-25-22-34(29-47(38)57-48(39)40)33-23-26-45-41(28-33)42-30-35(24-27-46(42)56-45)55-43-20-9-7-16-36(43)37-17-8-10-21-44(37)55/h1-30,49,51,53H,(H,52,54).
What are the key properties of 9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole?
9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-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-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 166962389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).