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

C51H32N4S2 — CID 166962088

IUPAC9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
SMILESc1ccc(C2=NC(c3cccc4sc5cc(-c6cccc7sc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c67)ccc5c34)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H32N4S2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)40-20-12-24-44-48(40)38-27-25-33(29-45(38)56-44)35-19-11-23-43-47(35)39-28-26-34(30-46(39)57-43)55-41-21-9-7-17-36(41)37-18-8-10-22-42(37)55/h1-30,51H,(H,52,53,54)
InChIKeyMSOMTRQZZLTHHS-UHFFFAOYSA-N
MW764.98 g/mol
LogP13.68
Rot. Bonds5

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

9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole (PubChem CID 166962088) has the molecular formula C51H32N4S2 and a molecular weight of 764.98 g/mol. Its IUPAC name is 9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole.

Molecular Properties

Compound Name9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
PubChem CID166962088
Molecular FormulaC51H32N4S2
Molecular Weight764.98 g/mol
Exact Mass764.21
IUPAC Name9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
SMILESc1ccc(C2=NC(c3cccc4sc5cc(-c6cccc7sc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c67)ccc5c34)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H32N4S2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)40-20-12-24-44-48(40)38-27-25-33(29-45(38)56-44)35-19-11-23-43-47(35)39-28-26-34(30-46(39)57-43)55-41-21-9-7-17-36(41)37-18-8-10-22-42(37)55/h1-30,51H,(H,52,53,54)
InChIKeyMSOMTRQZZLTHHS-UHFFFAOYSA-N
XLogP13.68
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.98
LogP ≤ 513.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 163906905
4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097785
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 166962153
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
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-[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
5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273713
2-dibenzothiophen-2-yl-12-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 163940278
5-[3-naphtho[1,2-b][1]benzothiol-6-yl-4-[6-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430320
9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 166961473
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole
CID 166962322

Frequently Asked Questions

What is the IUPAC name of 9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole?
The IUPAC name of 9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole (CID 166962088) is 9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole.
What is the SMILES notation for 9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole?
The canonical SMILES for 9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole is c1ccc(C2=NC(c3cccc4sc5cc(-c6cccc7sc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c67)ccc5c34)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole?
The InChIKey is MSOMTRQZZLTHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)40-20-12-24-44-48(40)38-27-25-33(29-45(38)56-44)35-19-11-23-43-47(35)39-28-26-34(30-46(39)57-43)55-41-21-9-7-17-36(41)37-18-8-10-22-42(37)55/h1-30,51H,(H,52,53,54).
What are the key properties of 9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole?
9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole has a molecular weight of 764.98 g/mol, XLogP of 13.68, 5 rotatable bonds, 1 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-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 166962088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).