5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C149H90N14OS5 — CID 157128648

IUPAC5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-n2cnc3c(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)cccc32)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cccc32)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cccc32)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cccc32)cc1.c1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc2ocnc2c1
InChIInChI=1S/4C31H19N3S.C25H14N2OS/c1-2-9-20(10-3-1)33-19-32-30-26(33)14-8-15-27(30)34-24-13-6-4-12-23(24)29-25(34)18-17-22-21-11-5-7-16-28(21)35-31(22)29;1-2-9-20(10-3-1)33-19-32-31-26(33)14-8-15-27(31)34-25-13-6-4-11-21(25)23-17-24-22-12-5-7-16-29(22)35-30(24)18-28(23)34;1-2-9-20(10-3-1)33-19-32-30-25(33)14-8-15-26(30)34-24-13-6-4-11-21(24)22-17-18-28-29(31(22)34)23-12-5-7-16-27(23)35-28;1-2-9-20(10-3-1)33-19-32-31-25(33)14-8-15-26(31)34-23-13-6-4-11-21(23)29-24(34)17-18-28-30(29)22-12-5-7-16-27(22)35-28;1-3-7-21-16(5-1)18-12-19-17-6-2-4-8-24(17)29-25(19)13-22(18)27(21)15-9-10-23-20(11-15)26-14-28-23/h4*1-19H;1-14H
InChIKeyAIUHYGHCWJMQON-UHFFFAOYSA-N
MW2252.79 g/mol
LogP41.25
Rot. Bonds9

About 5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 157128648) has the molecular formula C149H90N14OS5 and a molecular weight of 2252.79 g/mol. Its IUPAC name is 5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID157128648
Molecular FormulaC149H90N14OS5
Molecular Weight2252.79 g/mol
Exact Mass2250.60
IUPAC Name5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-n2cnc3c(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)cccc32)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cccc32)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cccc32)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cccc32)cc1.c1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc2ocnc2c1
InChIInChI=1S/4C31H19N3S.C25H14N2OS/c1-2-9-20(10-3-1)33-19-32-30-26(33)14-8-15-27(30)34-24-13-6-4-12-23(24)29-25(34)18-17-22-21-11-5-7-16-28(21)35-31(22)29;1-2-9-20(10-3-1)33-19-32-31-26(33)14-8-15-27(31)34-25-13-6-4-11-21(25)23-17-24-22-12-5-7-16-29(22)35-30(24)18-28(23)34;1-2-9-20(10-3-1)33-19-32-30-25(33)14-8-15-26(30)34-24-13-6-4-11-21(24)22-17-18-28-29(31(22)34)23-12-5-7-16-27(23)35-28;1-2-9-20(10-3-1)33-19-32-31-25(33)14-8-15-26(31)34-23-13-6-4-11-21(23)29-24(34)17-18-28-30(29)22-12-5-7-16-27(22)35-28;1-3-7-21-16(5-1)18-12-19-17-6-2-4-8-24(17)29-25(19)13-22(18)27(21)15-9-10-23-20(11-15)26-14-28-23/h4*1-19H;1-14H
InChIKeyAIUHYGHCWJMQON-UHFFFAOYSA-N
XLogP41.25
TPSA121.96 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002252.79
LogP ≤ 541.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 157128648) is 5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-n2cnc3c(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)cccc32)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cccc32)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)cccc32)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cccc32)cc1.c1ccc2c(c1)sc1cc3c(cc12)c1ccccc1n3-c1ccc2ocnc2c1.
What is the InChIKey of 5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is AIUHYGHCWJMQON-UHFFFAOYSA-N. The full InChI is InChI=1S/4C31H19N3S.C25H14N2OS/c1-2-9-20(10-3-1)33-19-32-30-26(33)14-8-15-27(30)34-24-13-6-4-12-23(24)29-25(34)18-17-22-21-11-5-7-16-28(21)35-31(22)29;1-2-9-20(10-3-1)33-19-32-31-26(33)14-8-15-27(31)34-25-13-6-4-11-21(25)23-17-24-22-12-5-7-16-29(22)35-30(24)18-28(23)34;1-2-9-20(10-3-1)33-19-32-30-25(33)14-8-15-26(30)34-24-13-6-4-11-21(24)22-17-18-28-29(31(22)34)23-12-5-7-16-27(23)35-28;1-2-9-20(10-3-1)33-19-32-31-25(33)14-8-15-26(31)34-23-13-6-4-11-21(23)29-24(34)17-18-28-30(29)22-12-5-7-16-27(22)35-28;1-3-7-21-16(5-1)18-12-19-17-6-2-4-8-24(17)29-25(19)13-22(18)27(21)15-9-10-23-20(11-15)26-14-28-23/h4*1-19H;1-14H.
What are the key properties of 5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 2252.79 g/mol, XLogP of 41.25, 9 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole;12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-a]carbazole;7-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-b]carbazole;5-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[3,2-c]carbazole;14-(1-phenylbenzimidazol-4-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 157128648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).