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

C51H32N4S2 — CID 139555389

IUPAC9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
SMILESc1ccc(C2=NC(c3ccc4c5ccccc5n(-c5cc(-c6cccc7sc8ccccc8c67)c6sc7ccccc7c6c5)c4c3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C51H32N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-26-27-36-35-18-7-10-22-42(35)55(43(36)28-33)34-29-40-37-19-8-11-23-44(37)57-48(40)41(30-34)38-21-13-25-46-47(38)39-20-9-12-24-45(39)56-46/h1-30,49H,(H,52,53,54)
InChIKeyTZRIHNDDAHCURV-UHFFFAOYSA-N
MW764.98 g/mol
LogP13.68
Rot. Bonds5

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

9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole (PubChem CID 139555389) has the molecular formula C51H32N4S2 and a molecular weight of 764.98 g/mol. Its IUPAC name is 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole.

Molecular Properties

Compound Name9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
PubChem CID139555389
Molecular FormulaC51H32N4S2
Molecular Weight764.98 g/mol
Exact Mass764.21
IUPAC Name9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
SMILESc1ccc(C2=NC(c3ccc4c5ccccc5n(-c5cc(-c6cccc7sc8ccccc8c67)c6sc7ccccc7c6c5)c4c3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C51H32N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-26-27-36-35-18-7-10-22-42(35)55(43(36)28-33)34-29-40-37-19-8-11-23-44(37)57-48(40)41(30-34)38-21-13-25-46-47(38)39-20-9-12-24-45(39)56-46/h1-30,49H,(H,52,53,54)
InChIKeyTZRIHNDDAHCURV-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

2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole
CID 139555395
9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 162780279
9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555379
2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
CID 142504958
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 137227552
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
9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555390
3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole
CID 163899540
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
9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
14-[3-[6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170106111

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole?
The IUPAC name of 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole (CID 139555389) is 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole.
What is the SMILES notation for 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole?
The canonical SMILES for 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole is c1ccc(C2=NC(c3ccc4c5ccccc5n(-c5cc(-c6cccc7sc8ccccc8c67)c6sc7ccccc7c6c5)c4c3)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole?
The InChIKey is TZRIHNDDAHCURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)33-26-27-36-35-18-7-10-22-42(35)55(43(36)28-33)34-29-40-37-19-8-11-23-44(37)57-48(40)41(30-34)38-21-13-25-46-47(38)39-20-9-12-24-45(39)56-46/h1-30,49H,(H,52,53,54).
What are the key properties of 9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole?
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-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-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole is sourced from PubChem (CID 139555389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).