7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole

C63H40N2OS — CID 134223468

About 7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole

7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223468) has the molecular formula C63H40N2OS and a molecular weight of 873.09 g/mol. Its IUPAC name is 7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole
• PubChem CID: 134223468
• Molecular Formula: C63H40N2OS
• Molecular Weight: 873.09 g/mol
• Exact Mass: 872.29
• IUPAC Name: 7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc(-c6cccc8c6sc6ccccc68)cc5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C63H40N2OS/c1-63(2)53-20-9-6-15-43(53)47-33-50-48-31-38(25-29-55(48)64(57(50)35-54(47)63)40-13-4-3-5-14-40)39-26-30-56-49(32-39)51-34-52-44-16-7-10-21-59(44)66-60(52)36-58(51)65(56)41-27-23-37(24-28-41)42-18-12-19-46-45-17-8-11-22-61(45)67-62(42)46/h3-36H,1-2H3
• InChIKey: OGMUBMDNDDNOJJ-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 23.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.09
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole?

The IUPAC name of 7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223468) is 7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole.

What is the SMILES notation for 7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole?

The canonical SMILES for 7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc(-c6cccc8c6sc6ccccc68)cc5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole?

The InChIKey is OGMUBMDNDDNOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N2OS/c1-63(2)53-20-9-6-15-43(53)47-33-50-48-31-38(25-29-55(48)64(57(50)35-54(47)63)40-13-4-3-5-14-40)39-26-30-56-49(32-39)51-34-52-44-16-7-10-21-59(44)66-60(52)36-58(51)65(56)41-27-23-37(24-28-41)42-18-12-19-46-45-17-8-11-22-61(45)67-62(42)46/h3-36H,1-2H3.

What are the key properties of 7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole?

7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 873.09 g/mol, XLogP of 17.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-dibenzothiophen-4-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).