1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine

C178H103N23S6 — CID 159128386

IUPAC1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc2c(c1)nc1n(-c3cccc4c3n(-c3nccc5c3sc3ccccc35)c3nc5ccccc5n43)c3ccccc3n21.c1ccc2c(c1)nc1n(-c3cccc4c5ccccc5n(-c5nccc6c5sc5ccccc56)c34)c3ccccc3n21.c1ccc2c(c1)nc1n(-c3nccc4c3sc3ccccc34)c3c(-n4c5ccccc5c5ccccc54)cccc3n21.c1ccc2c(c1)sc1c(-c3cccc4c5ccccc5n(-c5nccc6c5sc5ccccc56)c34)nccc12.c1ccc2c(c1)sc1c(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)nccc12
InChIInChI=1S/C37H21N7S.2C36H21N5S.C35H21N3S.C34H19N3S2/c1-8-19-32-22(10-1)23-20-21-38-35(34(23)45-32)44-33-30(42-27-14-5-3-12-25(27)40-37(42)44)17-9-18-31(33)43-29-16-7-6-15-28(29)41-26-13-4-2-11-24(26)39-36(41)43;1-5-14-27-22(10-1)23-11-2-6-15-28(23)39(27)30-17-9-18-31-33(30)41(36-38-26-13-4-7-16-29(26)40(31)36)35-34-25(20-21-37-35)24-12-3-8-19-32(24)42-34;1-4-14-27-22(10-1)24-12-9-18-31(33(24)41(27)35-34-25(20-21-37-35)23-11-2-8-19-32(23)42-34)40-30-17-7-6-16-29(30)39-28-15-5-3-13-26(28)38-36(39)40;1-5-15-28-22(10-1)23-11-2-6-16-29(23)37(28)31-18-9-14-26-24-12-3-7-17-30(24)38(33(26)31)35-34-27(20-21-36-35)25-13-4-8-19-32(25)39-34;1-4-13-27-20(8-1)23-11-7-12-26(30-32-24(16-18-35-30)21-9-2-5-14-28(21)38-32)31(23)37(27)34-33-25(17-19-36-34)22-10-3-6-15-29(22)39-33/h1-21H;2*1-21H;1-21H;1-19H
InChIKeyKGOJXOQZKCDADT-UHFFFAOYSA-N
MW2756.34 g/mol
LogP47.14
Rot. Bonds10

About 1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine

1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine (PubChem CID 159128386) has the molecular formula C178H103N23S6 and a molecular weight of 2756.34 g/mol. Its IUPAC name is 1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
PubChem CID159128386
Molecular FormulaC178H103N23S6
Molecular Weight2756.34 g/mol
Exact Mass2753.71
IUPAC Name1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc2c(c1)nc1n(-c3cccc4c3n(-c3nccc5c3sc3ccccc35)c3nc5ccccc5n43)c3ccccc3n21.c1ccc2c(c1)nc1n(-c3cccc4c5ccccc5n(-c5nccc6c5sc5ccccc56)c34)c3ccccc3n21.c1ccc2c(c1)nc1n(-c3nccc4c3sc3ccccc34)c3c(-n4c5ccccc5c5ccccc54)cccc3n21.c1ccc2c(c1)sc1c(-c3cccc4c5ccccc5n(-c5nccc6c5sc5ccccc56)c34)nccc12.c1ccc2c(c1)sc1c(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)nccc12
InChIInChI=1S/C37H21N7S.2C36H21N5S.C35H21N3S.C34H19N3S2/c1-8-19-32-22(10-1)23-20-21-38-35(34(23)45-32)44-33-30(42-27-14-5-3-12-25(27)40-37(42)44)17-9-18-31(33)43-29-16-7-6-15-28(29)41-26-13-4-2-11-24(26)39-36(41)43;1-5-14-27-22(10-1)23-11-2-6-15-28(23)39(27)30-17-9-18-31-33(30)41(36-38-26-13-4-7-16-29(26)40(31)36)35-34-25(20-21-37-35)24-12-3-8-19-32(24)42-34;1-4-14-27-22(10-1)24-12-9-18-31(33(24)41(27)35-34-25(20-21-37-35)23-11-2-8-19-32(23)42-34)40-30-17-7-6-16-29(30)39-28-15-5-3-13-26(28)38-36(39)40;1-5-15-28-22(10-1)23-11-2-6-16-29(23)37(28)31-18-9-14-26-24-12-3-7-17-30(24)38(33(26)31)35-34-27(20-21-36-35)25-13-4-8-19-32(25)39-34;1-4-13-27-20(8-1)23-11-7-12-26(30-32-24(16-18-35-30)21-9-2-5-14-28(21)38-32)31(23)37(27)34-33-25(17-19-36-34)22-10-3-6-15-29(22)39-33/h1-21H;2*1-21H;1-21H;1-19H
InChIKeyKGOJXOQZKCDADT-UHFFFAOYSA-N
XLogP47.14
TPSA190.91 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds10
Heavy Atoms207
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002756.34
LogP ≤ 547.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine (CID 159128386) is 1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine is c1ccc2c(c1)nc1n(-c3cccc4c3n(-c3nccc5c3sc3ccccc35)c3nc5ccccc5n43)c3ccccc3n21.c1ccc2c(c1)nc1n(-c3cccc4c5ccccc5n(-c5nccc6c5sc5ccccc56)c34)c3ccccc3n21.c1ccc2c(c1)nc1n(-c3nccc4c3sc3ccccc34)c3c(-n4c5ccccc5c5ccccc54)cccc3n21.c1ccc2c(c1)sc1c(-c3cccc4c5ccccc5n(-c5nccc6c5sc5ccccc56)c34)nccc12.c1ccc2c(c1)sc1c(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)nccc12.
What is the InChIKey of 1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is KGOJXOQZKCDADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N7S.2C36H21N5S.C35H21N3S.C34H19N3S2/c1-8-19-32-22(10-1)23-20-21-38-35(34(23)45-32)44-33-30(42-27-14-5-3-12-25(27)40-37(42)44)17-9-18-31(33)43-29-16-7-6-15-28(29)41-26-13-4-2-11-24(26)39-36(41)43;1-5-14-27-22(10-1)23-11-2-6-15-28(23)39(27)30-17-9-18-31-33(30)41(36-38-26-13-4-7-16-29(26)40(31)36)35-34-25(20-21-37-35)24-12-3-8-19-32(24)42-34;1-4-14-27-22(10-1)24-12-9-18-31(33(24)41(27)35-34-25(20-21-37-35)23-11-2-8-19-32(23)42-34)40-30-17-7-6-16-29(30)39-28-15-5-3-13-26(28)38-36(39)40;1-5-15-28-22(10-1)23-11-2-6-16-29(23)37(28)31-18-9-14-26-24-12-3-7-17-30(24)38(33(26)31)35-34-27(20-21-36-35)25-13-4-8-19-32(25)39-34;1-4-13-27-20(8-1)23-11-7-12-26(30-32-24(16-18-35-30)21-9-2-5-14-28(21)38-32)31(23)37(27)34-33-25(17-19-36-34)22-10-3-6-15-29(22)39-33/h1-21H;2*1-21H;1-21H;1-19H.
What are the key properties of 1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 2756.34 g/mol, XLogP of 47.14, 10 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[1-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-(4-carbazol-9-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzothiolo[2,3-c]pyridine;1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 159128386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).