5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

C59H32N4O2S — CID 167347699

IUPAC5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3c4ccccc4ccc23)c1-c1nc(-c2cccc3c2oc2ccccc23)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C59H32N4O2S/c1-2-15-35-32-49-46(31-34(35)14-1)37-17-5-8-24-47(37)63(49)48-30-29-42-41-28-27-33-13-3-4-16-36(33)53(41)65-55(42)52(48)59-61-57(44-22-11-20-40-38-18-6-9-25-50(38)64-54(40)44)60-58(62-59)45-23-12-21-43-39-19-7-10-26-51(39)66-56(43)45/h1-32H
InChIKeyJZQYVZZYGNHCOL-UHFFFAOYSA-N
MW861.00 g/mol
LogP16.44
Rot. Bonds4

About 5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (PubChem CID 167347699) has the molecular formula C59H32N4O2S and a molecular weight of 861.00 g/mol. Its IUPAC name is 5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
PubChem CID167347699
Molecular FormulaC59H32N4O2S
Molecular Weight861.00 g/mol
Exact Mass860.22
IUPAC Name5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3c4ccccc4ccc23)c1-c1nc(-c2cccc3c2oc2ccccc23)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C59H32N4O2S/c1-2-15-35-32-49-46(31-34(35)14-1)37-17-5-8-24-47(37)63(49)48-30-29-42-41-28-27-33-13-3-4-16-36(33)53(41)65-55(42)52(48)59-61-57(44-22-11-20-40-38-18-6-9-25-50(38)64-54(40)44)60-58(62-59)45-23-12-21-43-39-19-7-10-26-51(39)66-56(43)45/h1-32H
InChIKeyJZQYVZZYGNHCOL-UHFFFAOYSA-N
XLogP16.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.00
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-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-[9-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166700217
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-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 167347702
5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 167044059
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-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347914
12-[4-(4-carbazol-9-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
CID 167348106
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043006
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699163
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-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699331
12-[2-(4-carbazol-9-yl-6-dibenzothiophen-4-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 167347891

Frequently Asked Questions

What is the IUPAC name of 5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?
The IUPAC name of 5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (CID 167347699) is 5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?
The canonical SMILES for 5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3c4ccccc4ccc23)c1-c1nc(-c2cccc3c2oc2ccccc23)nc(-c2cccc3c2sc2ccccc23)n1.
What is the InChIKey of 5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?
The InChIKey is JZQYVZZYGNHCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H32N4O2S/c1-2-15-35-32-49-46(31-34(35)14-1)37-17-5-8-24-47(37)63(49)48-30-29-42-41-28-27-33-13-3-4-16-36(33)53(41)65-55(42)52(48)59-61-57(44-22-11-20-40-38-18-6-9-25-50(38)64-54(40)44)60-58(62-59)45-23-12-21-43-39-19-7-10-26-51(39)66-56(43)45/h1-32H.
What are the key properties of 5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?
5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole has a molecular weight of 861.00 g/mol, XLogP of 16.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is sourced from PubChem (CID 167347699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).