2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole

C92H53N9OS4 — CID 157082047

IUPAC2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4sc5c(-c6ccc(-c7nc8ccccc8s7)cc6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5c(-c6cccc(-c7nc8ccccc8s7)c6)cccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C46H27N5S2.C46H26N4OS2/c1-2-13-28(14-3-1)43-48-44(50-46(49-43)51-37-23-7-4-17-32(37)33-18-5-8-24-38(33)51)35-21-12-26-40-41(35)34-20-11-19-31(42(34)52-40)29-15-10-16-30(27-29)45-47-36-22-6-9-25-39(36)53-45;1-2-11-28(12-3-1)43-48-44(50-45(49-43)35-18-9-15-32-31-13-4-6-20-37(31)51-41(32)35)34-17-10-22-39-40(34)33-16-8-14-30(42(33)52-39)27-23-25-29(26-24-27)46-47-36-19-5-7-21-38(36)53-46/h1-27H;1-26H
InChIKeyADQUSBJHLJTVPK-UHFFFAOYSA-N
MW1428.77 g/mol
LogP25.70
Rot. Bonds10

About 2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole

2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole (PubChem CID 157082047) has the molecular formula C92H53N9OS4 and a molecular weight of 1428.77 g/mol. Its IUPAC name is 2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole
PubChem CID157082047
Molecular FormulaC92H53N9OS4
Molecular Weight1428.77 g/mol
Exact Mass1427.33
IUPAC Name2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4sc5c(-c6ccc(-c7nc8ccccc8s7)cc6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5c(-c6cccc(-c7nc8ccccc8s7)c6)cccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C46H27N5S2.C46H26N4OS2/c1-2-13-28(14-3-1)43-48-44(50-46(49-43)51-37-23-7-4-17-32(37)33-18-5-8-24-38(33)51)35-21-12-26-40-41(35)34-20-11-19-31(42(34)52-40)29-15-10-16-30(27-29)45-47-36-22-6-9-25-39(36)53-45;1-2-11-28(12-3-1)43-48-44(50-45(49-43)35-18-9-15-32-31-13-4-6-20-37(31)51-41(32)35)34-17-10-22-39-40(34)33-16-8-14-30(42(33)52-39)27-23-25-29(26-24-27)46-47-36-19-5-7-21-38(36)53-46/h1-27H;1-26H
InChIKeyADQUSBJHLJTVPK-UHFFFAOYSA-N
XLogP25.70
TPSA121.19 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001428.77
LogP ≤ 525.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole with MolForge

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Related Compounds

5-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 157460835
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 159209120
16-Fluoro-5-phenyl-18-[4-(9-phenylcarbazol-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-oxa-4-thia-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177086031
2-[7-(8-Fluorodibenzofuran-3-yl)dibenzothiophen-4-yl]-1-(2-phenylphenyl)benzimidazole
CID 156660111
2-[8-[8-[9-(6-Phenyl-2-pyridinyl)carbazol-3-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3-benzothiazole
CID 58501558
3-Dibenzofuran-2-yl-12-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 67701050
2-Dibenzofuran-4-yl-5-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 68016134
3-(9-Dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 88878134
2-(9-Dibenzothiophen-2-ylcarbazol-3-yl)-9-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]carbazole
CID 88878147
5-[4,6-Di(dibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 88949815
5-[4,6-Bis(1-benzofuran-5-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 88949817
5-[4-Dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 88950428

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole (CID 157082047) is 2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4sc5c(-c6ccc(-c7nc8ccccc8s7)cc6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4sc5c(-c6cccc(-c7nc8ccccc8s7)c6)cccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole?
The InChIKey is ADQUSBJHLJTVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N5S2.C46H26N4OS2/c1-2-13-28(14-3-1)43-48-44(50-46(49-43)51-37-23-7-4-17-32(37)33-18-5-8-24-38(33)51)35-21-12-26-40-41(35)34-20-11-19-31(42(34)52-40)29-15-10-16-30(27-29)45-47-36-22-6-9-25-39(36)53-45;1-2-11-28(12-3-1)43-48-44(50-45(49-43)35-18-9-15-32-31-13-4-6-20-37(31)51-41(32)35)34-17-10-22-39-40(34)33-16-8-14-30(42(33)52-39)27-23-25-29(26-24-27)46-47-36-19-5-7-21-38(36)53-46/h1-27H;1-26H.
What are the key properties of 2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole?
2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole has a molecular weight of 1428.77 g/mol, XLogP of 25.70, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 157082047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).