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

C51H30N4S2 — CID 169011010

IUPAC9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-c5cccc6sc7c(-n8c9ccccc9c9ccccc98)cccc7c56)cccc34)n2)cc1
InChIInChI=1S/C51H30N4S2/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/h1-30H
InChIKeyVXOWPFLCIWHWFE-UHFFFAOYSA-N
MW762.96 g/mol
LogP14.37
Rot. Bonds5

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

9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole (PubChem CID 169011010) has the molecular formula C51H30N4S2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
PubChem CID169011010
Molecular FormulaC51H30N4S2
Molecular Weight762.96 g/mol
Exact Mass762.19
IUPAC Name9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-c5cccc6sc7c(-n8c9ccccc9c9ccccc98)cccc7c56)cccc34)n2)cc1
InChIInChI=1S/C51H30N4S2/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/h1-30H
InChIKeyVXOWPFLCIWHWFE-UHFFFAOYSA-N
XLogP14.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011326
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011214
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-4-yl]carbazole
CID 169011339
3-[3-[4-(18-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]carbazole
CID 166980225
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15(20),16,18-nonaen-5-yl]carbazole
CID 146664284
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-4-yl]carbazole
CID 169010769
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169011191
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169010953
3,6-di(carbazol-9-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211412
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
CID 166915189

Frequently Asked Questions

What is the IUPAC name of 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole (CID 169011010) is 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-c5cccc6sc7c(-n8c9ccccc9c9ccccc98)cccc7c56)cccc34)n2)cc1.
What is the InChIKey of 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole?
The InChIKey is VXOWPFLCIWHWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S2/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/h1-30H.
What are the key properties of 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole?
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole has a molecular weight of 762.96 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 169011010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).