8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole

C111H75N9OS — CID 157324228

About 8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole

8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole (PubChem CID 157324228) has the molecular formula C111H75N9OS and a molecular weight of 1582.95 g/mol. Its IUPAC name is 8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole.

Molecular Properties

• Compound Name: 8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole
• PubChem CID: 157324228
• Molecular Formula: C111H75N9OS
• Molecular Weight: 1582.95 g/mol
• Exact Mass: 1581.58
• IUPAC Name: 8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole
• SMILES: CC1(C)c2ccccc2-c2oc3c(-c4ccc(-c5cccc6cccnc56)cc4)cccc3c21.Cc1cccnc1-n1ccc2cc3c4ccccc4n(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3cc21.c1ccc(-c2cccc3c2sc2c3c3ccccc3n2-c2nc(-c3ccccc3)c3c(n2)c2ccccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C42H26N4S.C37H26N4.C32H23NO/c1-4-15-27(16-5-1)30-23-14-24-33-36-31-21-10-12-25-34(31)46(41(36)47-40(30)33)42-43-37(28-17-6-2-7-18-28)39-38(44-42)32-22-11-13-26-35(32)45(39)29-19-8-3-9-20-29;1-25-11-10-19-38-37(25)40-20-18-28-21-31-30-16-8-9-17-34(30)41(36(31)24-35(28)40)29-22-32(26-12-4-2-5-13-26)39-33(23-29)27-14-6-3-7-15-27;1-32(2)27-14-4-3-10-25(27)31-28(32)26-13-6-12-24(30(26)34-31)21-17-15-20(16-18-21)23-11-5-8-22-9-7-19-33-29(22)23/h1-26H;2-24H,1H3;3-19H,1-2H3
• InChIKey: BENFDKVSOXTJSG-UHFFFAOYSA-N
• XLogP: 29.00
• TPSA: 97.31 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1582.95
LogP ≤ 5	29.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole?

The IUPAC name of 8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole (CID 157324228) is 8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole.

What is the SMILES notation for 8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole?

The canonical SMILES for 8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole is CC1(C)c2ccccc2-c2oc3c(-c4ccc(-c5cccc6cccnc56)cc4)cccc3c21.Cc1cccnc1-n1ccc2cc3c4ccccc4n(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3cc21.c1ccc(-c2cccc3c2sc2c3c3ccccc3n2-c2nc(-c3ccccc3)c3c(n2)c2ccccc2n3-c2ccccc2)cc1.

What is the InChIKey of 8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole?

The InChIKey is BENFDKVSOXTJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4S.C37H26N4.C32H23NO/c1-4-15-27(16-5-1)30-23-14-24-33-36-31-21-10-12-25-34(31)46(41(36)47-40(30)33)42-43-37(28-17-6-2-7-18-28)39-38(44-42)32-22-11-13-26-35(32)45(39)29-19-8-3-9-20-29;1-25-11-10-19-38-37(25)40-20-18-28-21-31-30-16-8-9-17-34(30)41(36(31)24-35(28)40)29-22-32(26-12-4-2-5-13-26)39-33(23-29)27-14-6-3-7-15-27;1-32(2)27-14-4-3-10-25(27)31-28(32)26-13-6-12-24(30(26)34-31)21-17-15-20(16-18-21)23-11-5-8-22-9-7-19-33-29(22)23/h1-26H;2-24H,1H3;3-19H,1-2H3.

What are the key properties of 8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole?

8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole has a molecular weight of 1582.95 g/mol, XLogP of 29.00, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline;9-(2,6-diphenyl-4-pyridinyl)-1-(3-methyl-2-pyridinyl)pyrrolo[2,3-b]carbazole;6-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)-4-phenyl-[1]benzothiolo[2,3-b]indole is sourced from PubChem (CID 157324228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).