3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole

C100H59N11OS — CID 123866598

IUPAC3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5cc7sc8cc(-c9ccc(-c%10cccc%11c%10oc%10ccccc%10%11)cc9)ccc8c7cc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)cc1
InChIInChI=1S/C100H59N11OS/c1-7-26-62(27-8-1)81-59-82(63-28-9-2-10-29-63)102-98(101-81)111-84-44-23-20-40-75(84)90-76(56-80-71-38-19-22-43-83(71)110(91(80)92(90)111)100-107-96(66-34-15-5-16-35-66)104-97(108-100)67-36-17-6-18-37-67)69-51-53-85-77(54-69)78-58-89-79(57-86(78)109(85)99-105-94(64-30-11-3-12-31-64)103-95(106-99)65-32-13-4-14-33-65)73-52-50-68(55-88(73)113-89)60-46-48-61(49-47-60)70-41-25-42-74-72-39-21-24-45-87(72)112-93(70)74/h1-59H
InChIKeyRFUKVTVWYHDQBS-UHFFFAOYSA-N
MW1462.71 g/mol
LogP25.41
Rot. Bonds12

About 3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole

3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole (PubChem CID 123866598) has the molecular formula C100H59N11OS and a molecular weight of 1462.71 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
PubChem CID123866598
Molecular FormulaC100H59N11OS
Molecular Weight1462.71 g/mol
Exact Mass1461.46
IUPAC Name3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5cc7sc8cc(-c9ccc(-c%10cccc%11c%10oc%10ccccc%10%11)cc9)ccc8c7cc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)cc1
InChIInChI=1S/C100H59N11OS/c1-7-26-62(27-8-1)81-59-82(63-28-9-2-10-29-63)102-98(101-81)111-84-44-23-20-40-75(84)90-76(56-80-71-38-19-22-43-83(71)110(91(80)92(90)111)100-107-96(66-34-15-5-16-35-66)104-97(108-100)67-36-17-6-18-37-67)69-51-53-85-77(54-69)78-58-89-79(57-86(78)109(85)99-105-94(64-30-11-3-12-31-64)103-95(106-99)65-32-13-4-14-33-65)73-52-50-68(55-88(73)113-89)60-46-48-61(49-47-60)70-41-25-42-74-72-39-21-24-45-87(72)112-93(70)74/h1-59H
InChIKeyRFUKVTVWYHDQBS-UHFFFAOYSA-N
XLogP25.41
TPSA131.05 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001462.71
LogP ≤ 525.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-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

CID 157388239
CID 157388239
9-[4-Dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 159071207
9-[4-Dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 159203969
2-[3,5-Bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole
CID 159245026
9-[4-Dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-methyl-4-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazole
CID 159310627
CID 159393370
CID 159393370
5-[4-(2,6-Diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 160365151
5-[4-(4,6-Diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 160897693
9-[4-Dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 161020117
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
2-Fluoro-4-(28-thia-1,8-diazaoctacyclo[15.13.1.02,7.09,31.010,15.018,30.021,29.022,27]hentriaconta-2,4,6,9(31),10,12,14,16,18(30),19,21(29),22,24,26-tetradecaen-8-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 164033791
1-Dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)dibenzofuran-4-yl]benzimidazole
CID 156657230

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole (CID 123866598) is 3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5cc7sc8cc(-c9ccc(-c%10cccc%11c%10oc%10ccccc%10%11)cc9)ccc8c7cc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)cc1.
What is the InChIKey of 3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is RFUKVTVWYHDQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H59N11OS/c1-7-26-62(27-8-1)81-59-82(63-28-9-2-10-29-63)102-98(101-81)111-84-44-23-20-40-75(84)90-76(56-80-71-38-19-22-43-83(71)110(91(80)92(90)111)100-107-96(66-34-15-5-16-35-66)104-97(108-100)67-36-17-6-18-37-67)69-51-53-85-77(54-69)78-58-89-79(57-86(78)109(85)99-105-94(64-30-11-3-12-31-64)103-95(106-99)65-32-13-4-14-33-65)73-52-50-68(55-88(73)113-89)60-46-48-61(49-47-60)70-41-25-42-74-72-39-21-24-45-87(72)112-93(70)74/h1-59H.
What are the key properties of 3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole?
3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 1462.71 g/mol, XLogP of 25.41, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-ylphenyl)-8-[12-(4,6-diphenylpyrimidin-2-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-5-yl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 123866598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).