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

C51H32N4S2 — CID 163472498

IUPAC9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4c3sc3c(-c5cccc6sc7c(-n8c9ccccc9c9ccccc98)cccc7c56)cccc34)=N2)cc1
InChIInChI=1S/C51H32N4S2/c1-3-15-31(16-4-1)49-52-50(32-17-5-2-6-18-32)54-51(53-49)40-26-12-24-38-37-23-11-22-36(46(37)57-47(38)40)35-21-14-30-44-45(35)39-25-13-29-43(48(39)56-44)55-41-27-9-7-19-33(41)34-20-8-10-28-42(34)55/h1-30,49H,(H,52,53,54)
InChIKeyBXRFOYOFGJKEIY-UHFFFAOYSA-N
MW764.98 g/mol
LogP13.68
Rot. Bonds5

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

9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole (PubChem CID 163472498) has the molecular formula C51H32N4S2 and a molecular weight of 764.98 g/mol. Its IUPAC name is 9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
PubChem CID163472498
Molecular FormulaC51H32N4S2
Molecular Weight764.98 g/mol
Exact Mass764.21
IUPAC Name9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4c3sc3c(-c5cccc6sc7c(-n8c9ccccc9c9ccccc98)cccc7c56)cccc34)=N2)cc1
InChIInChI=1S/C51H32N4S2/c1-3-15-31(16-4-1)49-52-50(32-17-5-2-6-18-32)54-51(53-49)40-26-12-24-38-37-23-11-22-36(46(37)57-47(38)40)35-21-14-30-44-45(35)39-25-13-29-43(48(39)56-44)55-41-27-9-7-19-33(41)34-20-8-10-28-42(34)55/h1-30,49H,(H,52,53,54)
InChIKeyBXRFOYOFGJKEIY-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-[6-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7,8-dihydrodibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
CID 166962503
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011010
9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole
CID 174245169
12-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145156440
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 162780279
2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
5-[2-naphtho[2,3-b][1]benzothiol-1-yl-4-(2-phenyl-6-triphenylen-1-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155474597
4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 137245379
12-[2,6-diphenyl-4-[2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 165068336
10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 155019035
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-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole (CID 163472498) is 9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cccc4c3sc3c(-c5cccc6sc7c(-n8c9ccccc9c9ccccc98)cccc7c56)cccc34)=N2)cc1.
What is the InChIKey of 9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole?
The InChIKey is BXRFOYOFGJKEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S2/c1-3-15-31(16-4-1)49-52-50(32-17-5-2-6-18-32)54-51(53-49)40-26-12-24-38-37-23-11-22-36(46(37)57-47(38)40)35-21-14-30-44-45(35)39-25-13-29-43(48(39)56-44)55-41-27-9-7-19-33(41)34-20-8-10-28-42(34)55/h1-30,49H,(H,52,53,54).
What are the key properties of 9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole?
9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-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-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 163472498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).