4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole

C147H90N4O2S4 — CID 158376149

IUPAC4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3nc4c(-c5ccc6sc7ccccc7c6c5)cc(-c5cccc(-c6ccccc6)c5)cc4s3)cc2)cc1.c1ccc(-c2ccc(-c3nc4c(-c5cccc(-c6ccccc6)c5)cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4s3)cc2)cc1.c1cncc(-c2nc3c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3s2)c1
InChIInChI=1S/C56H35NS.C48H28N2O2S.C43H27NS2/c1-3-14-36(15-4-1)38-26-28-39(29-27-38)55-57-54-48(42-19-13-18-40(32-42)37-16-5-2-6-17-37)33-43(35-53(54)58-55)41-30-31-47-46-22-9-12-25-51(46)56(52(47)34-41)49-23-10-7-20-44(49)45-21-8-11-24-50(45)56;1-3-15-42-37(9-1)39-13-5-11-35(46(39)51-42)30-19-17-29(18-20-30)34-26-41(45-44(27-34)53-48(50-45)33-8-7-25-49-28-33)32-23-21-31(22-24-32)36-12-6-14-40-38-10-2-4-16-43(38)52-47(36)40;1-3-10-28(11-4-1)30-18-20-31(21-19-30)43-44-42-37(34-22-23-40-38(25-34)36-16-7-8-17-39(36)45-40)26-35(27-41(42)46-43)33-15-9-14-32(24-33)29-12-5-2-6-13-29/h1-35H;1-28H;1-27H
InChIKeyGVFKJFJZFSTALR-UHFFFAOYSA-N
MW2072.63 g/mol
LogP41.80
Rot. Bonds15

About 4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole

4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole (PubChem CID 158376149) has the molecular formula C147H90N4O2S4 and a molecular weight of 2072.63 g/mol. Its IUPAC name is 4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole
PubChem CID158376149
Molecular FormulaC147H90N4O2S4
Molecular Weight2072.63 g/mol
Exact Mass2070.59
IUPAC Name4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3nc4c(-c5ccc6sc7ccccc7c6c5)cc(-c5cccc(-c6ccccc6)c5)cc4s3)cc2)cc1.c1ccc(-c2ccc(-c3nc4c(-c5cccc(-c6ccccc6)c5)cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4s3)cc2)cc1.c1cncc(-c2nc3c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3s2)c1
InChIInChI=1S/C56H35NS.C48H28N2O2S.C43H27NS2/c1-3-14-36(15-4-1)38-26-28-39(29-27-38)55-57-54-48(42-19-13-18-40(32-42)37-16-5-2-6-17-37)33-43(35-53(54)58-55)41-30-31-47-46-22-9-12-25-51(46)56(52(47)34-41)49-23-10-7-20-44(49)45-21-8-11-24-50(45)56;1-3-15-42-37(9-1)39-13-5-11-35(46(39)51-42)30-19-17-29(18-20-30)34-26-41(45-44(27-34)53-48(50-45)33-8-7-25-49-28-33)32-23-21-31(22-24-32)36-12-6-14-40-38-10-2-4-16-43(38)52-47(36)40;1-3-10-28(11-4-1)30-18-20-31(21-19-30)43-44-42-37(34-22-23-40-38(25-34)36-16-7-8-17-39(36)45-40)26-35(27-41(42)46-43)33-15-9-14-32(24-33)29-12-5-2-6-13-29/h1-35H;1-28H;1-27H
InChIKeyGVFKJFJZFSTALR-UHFFFAOYSA-N
XLogP41.80
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002072.63
LogP ≤ 541.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole 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

6-(3-Tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)-4-methylthieno[2,3-f]isoquinoline;6-(3-tert-butyl-5-methylphenyl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(4-tert-butylnaphthalen-2-yl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline;6-(4-tert-butylnaphthalen-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)-2-methylfuro[2,3-f]isoquinoline;9-(3,5-dimethylphenyl)-2-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-h]isoquinoline;9-(3,5-dimethylphenyl)-3-(2,2-dimethylpropyl)thieno[3,2-h]isoquinoline
CID 161324597
9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180
2-[22-(1-Benzofuran-2-yl)-5,5,15,15,25,25-hexamethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]-1,3-benzothiazole
CID 59413389
8-[15,15-Bis(1-benzofuran-2-yl)-22-(1-benzothiophen-2-yl)-5,5,25,25-tetramethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]quinoline
CID 59413470
3-Dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 71278025
6-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine
CID 89850184
8-[3-(8-Dibenzothiophen-2-yldibenzofuran-2-yl)carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine
CID 89850190
6-[3-(5-Dibenzofuran-2-ylthiophen-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine
CID 89850191
8-[3-[8-[9-(9-Phenylcarbazol-3-yl)carbazol-3-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine
CID 89850230
12-(7-Dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 90191523
12-(7-Dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 90191527
14-Dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene
CID 90363368

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole?
The IUPAC name of 4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole (CID 158376149) is 4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole?
The canonical SMILES for 4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole is c1ccc(-c2ccc(-c3nc4c(-c5ccc6sc7ccccc7c6c5)cc(-c5cccc(-c6ccccc6)c5)cc4s3)cc2)cc1.c1ccc(-c2ccc(-c3nc4c(-c5cccc(-c6ccccc6)c5)cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4s3)cc2)cc1.c1cncc(-c2nc3c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3s2)c1.
What is the InChIKey of 4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole?
The InChIKey is GVFKJFJZFSTALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NS.C48H28N2O2S.C43H27NS2/c1-3-14-36(15-4-1)38-26-28-39(29-27-38)55-57-54-48(42-19-13-18-40(32-42)37-16-5-2-6-17-37)33-43(35-53(54)58-55)41-30-31-47-46-22-9-12-25-51(46)56(52(47)34-41)49-23-10-7-20-44(49)45-21-8-11-24-50(45)56;1-3-15-42-37(9-1)39-13-5-11-35(46(39)51-42)30-19-17-29(18-20-30)34-26-41(45-44(27-34)53-48(50-45)33-8-7-25-49-28-33)32-23-21-31(22-24-32)36-12-6-14-40-38-10-2-4-16-43(38)52-47(36)40;1-3-10-28(11-4-1)30-18-20-31(21-19-30)43-44-42-37(34-22-23-40-38(25-34)36-16-7-8-17-39(36)45-40)26-35(27-41(42)46-43)33-15-9-14-32(24-33)29-12-5-2-6-13-29/h1-35H;1-28H;1-27H.
What are the key properties of 4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole?
4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole has a molecular weight of 2072.63 g/mol, XLogP of 41.80, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole;4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzothiazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 158376149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).