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

C61H34N4O2S — CID 155475277

IUPAC5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C61H34N4O2S/c1-2-14-36-34-51-47(31-35(36)13-1)39-15-3-7-22-49(39)65(51)50-29-27-38(33-46(50)37-28-30-56-48(32-37)41-17-6-10-26-55(41)68-56)59-62-60(44-20-12-25-54-57(44)43-18-5-9-24-53(43)66-54)64-61(63-59)45-21-11-19-42-40-16-4-8-23-52(40)67-58(42)45/h1-34H
InChIKeyZDXVEPIELJJNGM-UHFFFAOYSA-N
MW887.04 g/mol
LogP16.96
Rot. Bonds5

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

5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole (PubChem CID 155475277) has the molecular formula C61H34N4O2S and a molecular weight of 887.04 g/mol. Its IUPAC name is 5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole
PubChem CID155475277
Molecular FormulaC61H34N4O2S
Molecular Weight887.04 g/mol
Exact Mass886.24
IUPAC Name5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C61H34N4O2S/c1-2-14-36-34-51-47(31-35(36)13-1)39-15-3-7-22-49(39)65(51)50-29-27-38(33-46(50)37-28-30-56-48(32-37)41-17-6-10-26-55(41)68-56)59-62-60(44-20-12-25-54-57(44)43-18-5-9-24-53(43)66-54)64-61(63-59)45-21-11-19-42-40-16-4-8-23-52(40)67-58(42)45/h1-34H
InChIKeyZDXVEPIELJJNGM-UHFFFAOYSA-N
XLogP16.96
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.04
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-3-dibenzothiophen-3-ylphenyl]benzo[b]carbazole
CID 155430720
5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347914
5-[2-dibenzothiophen-2-yl-4-[4,6-di(phenanthren-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474637
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-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698963
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[1,2-b][1]benzofuran-6-ylphenyl]benzo[b]carbazole
CID 155474561
5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430579
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
12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]-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 155474747
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043263

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole?
The IUPAC name of 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) is 5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole?
The InChIKey is ZDXVEPIELJJNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H34N4O2S/c1-2-14-36-34-51-47(31-35(36)13-1)39-15-3-7-22-49(39)65(51)50-29-27-38(33-46(50)37-28-30-56-48(32-37)41-17-6-10-26-55(41)68-56)59-62-60(44-20-12-25-54-57(44)43-18-5-9-24-53(43)66-54)64-61(63-59)45-21-11-19-42-40-16-4-8-23-52(40)67-58(42)45/h1-34H.
What are the key properties of 5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole?
5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole has a molecular weight of 887.04 g/mol, XLogP of 16.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155475277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).