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

C63H40N2OS — CID 134223330

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

7-(4-dibenzothiophen-2-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223330) has the molecular formula C63H40N2OS and a molecular weight of 873.09 g/mol. Its IUPAC name is 7-(4-dibenzothiophen-2-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-2-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole
• PubChem CID: 134223330
• Molecular Formula: C63H40N2OS
• Molecular Weight: 873.09 g/mol
• Exact Mass: 872.29
• IUPAC Name: 7-(4-dibenzothiophen-2-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(-c6ccc8sc9ccccc9c8c6)cc5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C63H40N2OS/c1-63(2)53-17-9-6-14-43(53)46-33-49-47-30-39(22-27-55(47)64(57(49)35-54(46)63)41-12-4-3-5-13-41)40-23-28-56-48(31-40)50-34-51-44-15-7-10-18-59(44)66-60(51)36-58(50)65(56)42-25-20-37(21-26-42)38-24-29-62-52(32-38)45-16-8-11-19-61(45)67-62/h3-36H,1-2H3
• InChIKey: VTLXXWNSRNKKEA-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-2-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-2-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223330) is 7-(4-dibenzothiophen-2-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-2-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-2-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(-c6ccc8sc9ccccc9c8c6)cc5)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21.

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

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

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

7-(4-dibenzothiophen-2-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-2-ylphenyl)-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).