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

C55H30N4OS2 — CID 167347914

IUPAC5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3ccccc32)c1-c1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccc3sc4ccccc4c3c2)n1
InChIInChI=1S/C55H30N4OS2/c1-2-12-32-30-45-40(27-31(32)11-1)35-13-3-7-17-43(35)59(45)44-24-23-39-36-14-4-8-18-46(36)60-52(39)51(44)55-57-53(33-21-25-49-41(28-33)37-15-5-9-19-47(37)61-49)56-54(58-55)34-22-26-50-42(29-34)38-16-6-10-20-48(38)62-50/h1-30H
InChIKeyJJROKUHEYGSOCI-UHFFFAOYSA-N
MW827.01 g/mol
LogP15.76
Rot. Bonds4

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

5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 167347914) has the molecular formula C55H30N4OS2 and a molecular weight of 827.01 g/mol. Its IUPAC name is 5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
PubChem CID167347914
Molecular FormulaC55H30N4OS2
Molecular Weight827.01 g/mol
Exact Mass826.19
IUPAC Name5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3ccccc32)c1-c1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccc3sc4ccccc4c3c2)n1
InChIInChI=1S/C55H30N4OS2/c1-2-12-32-30-45-40(27-31(32)11-1)35-13-3-7-17-43(35)59(45)44-24-23-39-36-14-4-8-18-46(36)60-52(39)51(44)55-57-53(33-21-25-49-41(28-33)37-15-5-9-19-47(37)61-49)56-54(58-55)34-22-26-50-42(29-34)38-16-6-10-20-48(38)62-50/h1-30H
InChIKeyJJROKUHEYGSOCI-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-[4-(4-carbazol-9-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 167347748
5-[4-(4-dibenzothiophen-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 166700106
5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 155042447
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347943
5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole
CID 155475277
5-[2-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699435
5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 155042478
5-[3-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700137
12-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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 166700414
5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698963
5-[3-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700141
5-[4-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347729

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (CID 167347914) is 5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3ccccc32)c1-c1nc(-c2ccc3sc4ccccc4c3c2)nc(-c2ccc3sc4ccccc4c3c2)n1.
What is the InChIKey of 5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?
The InChIKey is JJROKUHEYGSOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4OS2/c1-2-12-32-30-45-40(27-31(32)11-1)35-13-3-7-17-43(35)59(45)44-24-23-39-36-14-4-8-18-46(36)60-52(39)51(44)55-57-53(33-21-25-49-41(28-33)37-15-5-9-19-47(37)61-49)56-54(58-55)34-22-26-50-42(29-34)38-16-6-10-20-48(38)62-50/h1-30H.
What are the key properties of 5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole?
5-[4-[4,6-di(dibenzothiophen-2-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-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 167347914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).