6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole

C104H64N4O2S2 — CID 159864008

About 6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole

6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole (PubChem CID 159864008) has the molecular formula C104H64N4O2S2 and a molecular weight of 1465.82 g/mol. Its IUPAC name is 6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole.

Molecular Properties

• Compound Name: 6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole
• PubChem CID: 159864008
• Molecular Formula: C104H64N4O2S2
• Molecular Weight: 1465.82 g/mol
• Exact Mass: 1464.45
• IUPAC Name: 6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole
• SMILES: c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5c7ccccc7sc5n6-c5ccc(-c6ccccc6)cc5)cc4c4c5ccccc5oc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5c7ccccc7sc5n6-c5cccc(-c6ccccc6)c5)cc4c4c5ccccc5oc43)c2)cc1
• InChI: InChI=1S/2C52H32N2OS/c1-3-13-33(14-4-1)35-17-11-19-39(29-35)53-45-27-25-37(31-43(45)49-41-21-7-9-23-47(41)55-51(49)53)38-26-28-46-44(32-38)50-42-22-8-10-24-48(42)56-52(50)54(46)40-20-12-18-36(30-40)34-15-5-2-6-16-34;1-3-11-33(12-4-1)35-19-25-39(26-20-35)53-45-29-23-37(31-43(45)49-41-15-7-9-17-47(41)55-51(49)53)38-24-30-46-44(32-38)50-42-16-8-10-18-48(42)56-52(50)54(46)40-27-21-36(22-28-40)34-13-5-2-6-14-34/h2*1-32H
• InChIKey: NRMVHSSJGQDCJZ-UHFFFAOYSA-N
• XLogP: 29.69
• TPSA: 46.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1465.82
LogP ≤ 5	29.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole?

The IUPAC name of 6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole (CID 159864008) is 6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole.

What is the SMILES notation for 6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole?

The canonical SMILES for 6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5c7ccccc7sc5n6-c5ccc(-c6ccccc6)cc5)cc4c4c5ccccc5oc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5c7ccccc7sc5n6-c5cccc(-c6ccccc6)c5)cc4c4c5ccccc5oc43)c2)cc1.

What is the InChIKey of 6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole?

The InChIKey is NRMVHSSJGQDCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H32N2OS/c1-3-13-33(14-4-1)35-17-11-19-39(29-35)53-45-27-25-37(31-43(45)49-41-21-7-9-23-47(41)55-51(49)53)38-26-28-46-44(32-38)50-42-22-8-10-24-48(42)56-52(50)54(46)40-20-12-18-36(30-40)34-15-5-2-6-16-34;1-3-11-33(12-4-1)35-19-25-39(26-20-35)53-45-29-23-37(31-43(45)49-41-15-7-9-17-47(41)55-51(49)53)38-24-30-46-44(32-38)50-42-16-8-10-18-48(42)56-52(50)54(46)40-27-21-36(22-28-40)34-13-5-2-6-14-34/h2*1-32H.

What are the key properties of 6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole?

6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole has a molecular weight of 1465.82 g/mol, XLogP of 29.69, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-phenylphenyl)-9-[6-(3-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole;6-(4-phenylphenyl)-9-[6-(4-phenylphenyl)-[1]benzothiolo[2,3-b]indol-9-yl]-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 159864008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).