7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole

C59H32N4O2S — CID 126631061

About 7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole

7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 126631061) has the molecular formula C59H32N4O2S and a molecular weight of 861.00 g/mol. Its IUPAC name is 7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole
• PubChem CID: 126631061
• Molecular Formula: C59H32N4O2S
• Molecular Weight: 861.00 g/mol
• Exact Mass: 860.22
• IUPAC Name: 7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole
• SMILES: c1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)n1
• InChI: InChI=1S/C59H32N4O2S/c1-7-19-45-33(13-1)41-29-44-38-18-6-12-24-56(38)66-57(44)32-51(41)61(45)48-25-26-58(62-46-20-8-2-14-34(46)39-27-42-36-16-4-10-22-52(36)64-54(42)30-49(39)62)60-59(48)63-47-21-9-3-15-35(47)40-28-43-37-17-5-11-23-53(37)65-55(43)31-50(40)63/h1-32H
• InChIKey: VOWNVIXYVKWZBL-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 53.96 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.00
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole?

The IUPAC name of 7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole (CID 126631061) is 7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole.

What is the SMILES notation for 7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole?

The canonical SMILES for 7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole is c1ccc2c(c1)oc1cc3c(cc12)c1ccccc1n3-c1ccc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)c(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)n1.

What is the InChIKey of 7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole?

The InChIKey is VOWNVIXYVKWZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H32N4O2S/c1-7-19-45-33(13-1)41-29-44-38-18-6-12-24-56(38)66-57(44)32-51(41)61(45)48-25-26-58(62-46-20-8-2-14-34(46)39-27-42-36-16-4-10-22-52(36)64-54(42)30-49(39)62)60-59(48)63-47-21-9-3-15-35(47)40-28-43-37-17-5-11-23-53(37)65-55(43)31-50(40)63/h1-32H.

What are the key properties of 7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole?

7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 861.00 g/mol, XLogP of 16.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-3-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 126631061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).