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

C55H30N4O2S — CID 166700326

IUPAC5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2oc3ccccc3c2cc1-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)sc2ccccc23)n1
InChIInChI=1S/C55H30N4O2S/c1-2-12-32-26-45-41(25-31(32)11-1)35-13-3-7-17-44(35)59(45)46-30-50-42(37-15-5-9-19-48(37)61-50)29-43(46)55-57-53(33-21-23-38-36-14-4-8-18-47(36)60-49(38)27-33)56-54(58-55)34-22-24-40-39-16-6-10-20-51(39)62-52(40)28-34/h1-30H
InChIKeyFSLIOMFTZZGFGC-UHFFFAOYSA-N
MW810.94 g/mol
LogP15.29
Rot. Bonds4

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

5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 166700326) has the molecular formula C55H30N4O2S and a molecular weight of 810.94 g/mol. Its IUPAC name is 5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
PubChem CID166700326
Molecular FormulaC55H30N4O2S
Molecular Weight810.94 g/mol
Exact Mass810.21
IUPAC Name5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2oc3ccccc3c2cc1-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)sc2ccccc23)n1
InChIInChI=1S/C55H30N4O2S/c1-2-12-32-26-45-41(25-31(32)11-1)35-13-3-7-17-44(35)59(45)46-30-50-42(37-15-5-9-19-48(37)61-50)29-43(46)55-57-53(33-21-23-38-36-14-4-8-18-47(36)60-49(38)27-33)56-54(58-55)34-22-24-40-39-16-6-10-20-51(39)62-52(40)28-34/h1-30H
InChIKeyFSLIOMFTZZGFGC-UHFFFAOYSA-N
XLogP15.29
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.94
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]benzo[b]carbazole
CID 155034514
5-[9-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzothiol-10-yl]benzo[b]carbazole
CID 155034973
5-[2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzothiol-3-yl]benzo[b]carbazole
CID 155035134
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
5-[3-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347352
12-[2-(4-dibenzothiophen-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 167043802
5-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167347934
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043108
12-[2-[4,6-di(dibenzothiophen-2-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
CID 166700692
5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163539451
5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347924
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole (CID 166700326) is 5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2oc3ccccc3c2cc1-c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccc3c(c2)sc2ccccc23)n1.
What is the InChIKey of 5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The InChIKey is FSLIOMFTZZGFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4O2S/c1-2-12-32-26-45-41(25-31(32)11-1)35-13-3-7-17-44(35)59(45)46-30-50-42(37-15-5-9-19-48(37)61-50)29-43(46)55-57-53(33-21-23-38-36-14-4-8-18-47(36)60-49(38)27-33)56-54(58-55)34-22-24-40-39-16-6-10-20-51(39)62-52(40)28-34/h1-30H.
What are the key properties of 5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole?
5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole has a molecular weight of 810.94 g/mol, XLogP of 15.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 166700326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).