4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole

C50H26N4O3S — CID 146407206

About 4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole

4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 146407206) has the molecular formula C50H26N4O3S and a molecular weight of 762.85 g/mol. Its IUPAC name is 4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

• Compound Name: 4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole
• PubChem CID: 146407206
• Molecular Formula: C50H26N4O3S
• Molecular Weight: 762.85 g/mol
• Exact Mass: 762.17
• IUPAC Name: 4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole
• SMILES: c1ccc2oc(-n3c4cccc(-c5ccc6sc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)nc6c5)c4c4ccc5c6ccccc6oc5c43)nc2c1
• InChI: InChI=1S/C50H26N4O3S/c1-5-15-38-29(10-1)32-21-22-33-30-11-2-6-17-40(30)55-47(33)45(32)54(38)50-52-37-26-27(20-25-43(37)58-50)28-13-9-16-39-44(28)35-24-23-34-31-12-3-7-18-41(31)56-48(34)46(35)53(39)49-51-36-14-4-8-19-42(36)57-49/h1-26H
• InChIKey: QZRIEYSEFUDNHO-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 75.06 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.85
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole?

The IUPAC name of 4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole (CID 146407206) is 4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole.

What is the SMILES notation for 4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole?

The canonical SMILES for 4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc2oc(-n3c4cccc(-c5ccc6sc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)nc6c5)c4c4ccc5c6ccccc6oc5c43)nc2c1.

What is the InChIKey of 4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole?

The InChIKey is QZRIEYSEFUDNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H26N4O3S/c1-5-15-38-29(10-1)32-21-22-33-30-11-2-6-17-40(30)55-47(33)45(32)54(38)50-52-37-26-27(20-25-43(37)58-50)28-13-9-16-39-44(28)35-24-23-34-31-12-3-7-18-41(31)56-48(34)46(35)53(39)49-51-36-14-4-8-19-42(36)57-49/h1-26H.

What are the key properties of 4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole?

4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 762.85 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-1,3-benzothiazol-5-yl]-12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 146407206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).