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

C55H30N4OS2 — CID 167347924

IUPAC5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)c2oc3ccccc3c2c1
InChIInChI=1S/C55H30N4OS2/c1-2-12-32-26-46-42(25-31(32)11-1)36-13-3-7-17-45(36)59(46)35-29-43-37-14-4-8-18-47(37)60-52(43)44(30-35)55-57-53(33-21-23-40-38-15-5-9-19-48(38)61-50(40)27-33)56-54(58-55)34-22-24-41-39-16-6-10-20-49(39)62-51(41)28-34/h1-30H
InChIKeyZEULGXPRWATRLM-UHFFFAOYSA-N
MW827.01 g/mol
LogP15.76
Rot. Bonds4

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

5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 167347924) has the molecular formula C55H30N4OS2 and a molecular weight of 827.01 g/mol. Its IUPAC name is 5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID167347924
Molecular FormulaC55H30N4OS2
Molecular Weight827.01 g/mol
Exact Mass826.19
IUPAC Name5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)c2oc3ccccc3c2c1
InChIInChI=1S/C55H30N4OS2/c1-2-12-32-26-46-42(25-31(32)11-1)36-13-3-7-17-45(36)59(46)35-29-43-37-14-4-8-18-47(37)60-52(43)44(30-35)55-57-53(33-21-23-40-38-15-5-9-19-48(38)61-50(40)27-33)56-54(58-55)34-22-24-41-39-16-6-10-20-49(39)62-51(41)28-34/h1-30H
InChIKeyZEULGXPRWATRLM-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043585
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699412
5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700520
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347922
12-[3-[4-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-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 167347908
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
12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 167347572
12-[6-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-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 163587969
5-[7-(4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 164714703
5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554
5-[2-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 166700326

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole (CID 167347924) is 5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)c2oc3ccccc3c2c1.
What is the InChIKey of 5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is ZEULGXPRWATRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4OS2/c1-2-12-32-26-46-42(25-31(32)11-1)36-13-3-7-17-45(36)59(46)35-29-43-37-14-4-8-18-47(37)60-52(43)44(30-35)55-57-53(33-21-23-40-38-15-5-9-19-48(38)61-50(40)27-33)56-54(58-55)34-22-24-41-39-16-6-10-20-49(39)62-51(41)28-34/h1-30H.
What are the key properties of 5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole?
5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-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-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 167347924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).