5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole

C55H30N4OS2 — CID 163593137

IUPAC5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)c2c(c1)oc1ccccc12
InChIInChI=1S/C55H30N4OS2/c1-2-14-32-28-43-40(27-31(32)13-1)34-15-3-7-21-42(34)59(43)33-29-41(50-35-16-4-8-22-44(35)60-45(50)30-33)55-57-53(38-19-11-25-48-51(38)36-17-5-9-23-46(36)61-48)56-54(58-55)39-20-12-26-49-52(39)37-18-6-10-24-47(37)62-49/h1-30H
InChIKeyGREKYOLBCXVHQH-UHFFFAOYSA-N
MW827.01 g/mol
LogP15.76
Rot. Bonds4

About 5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole

5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 163593137) has the molecular formula C55H30N4OS2 and a molecular weight of 827.01 g/mol. Its IUPAC name is 5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
PubChem CID163593137
Molecular FormulaC55H30N4OS2
Molecular Weight827.01 g/mol
Exact Mass826.19
IUPAC Name5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)c2c(c1)oc1ccccc12
InChIInChI=1S/C55H30N4OS2/c1-2-14-32-28-43-40(27-31(32)13-1)34-15-3-7-21-42(34)59(43)33-29-41(50-35-16-4-8-22-44(35)60-45(50)30-33)55-57-53(38-19-11-25-48-51(38)36-17-5-9-23-46(36)61-48)56-54(58-55)39-20-12-26-49-52(39)37-18-6-10-24-47(37)62-49/h1-30H
InChIKeyGREKYOLBCXVHQH-UHFFFAOYSA-N
XLogP15.76
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.01
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazole
CID 161186460
5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714660
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347922
5-[4-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043585
5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430956
5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163915985
5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 164715042
5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 165108254
5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347963
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714559
12-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700694
12-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[1-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;5-[7-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 164985249

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (CID 163593137) is 5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)c2c(c1)oc1ccccc12.
What is the InChIKey of 5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?
The InChIKey is GREKYOLBCXVHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4OS2/c1-2-14-32-28-43-40(27-31(32)13-1)34-15-3-7-21-42(34)59(43)33-29-41(50-35-16-4-8-22-44(35)60-45(50)30-33)55-57-53(38-19-11-25-48-51(38)36-17-5-9-23-46(36)61-48)56-54(58-55)39-20-12-26-49-52(39)37-18-6-10-24-47(37)62-49/h1-30H.
What are the key properties of 5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?
5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole has a molecular weight of 827.01 g/mol, XLogP of 15.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 163593137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).