10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole

C60H39N5O — CID 134223673

About 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223673) has the molecular formula C60H39N5O and a molecular weight of 846.01 g/mol. Its IUPAC name is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

• Compound Name: 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole
• PubChem CID: 134223673
• Molecular Formula: C60H39N5O
• Molecular Weight: 846.01 g/mol
• Exact Mass: 845.32
• IUPAC Name: 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole
• SMILES: CC1(C)c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)oc3ccccc35)cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C60H39N5O/c1-60(2)49-28-26-38(30-43(49)44-32-46-41-22-12-14-24-51(41)64(53(46)34-50(44)60)40-20-10-5-11-21-40)39-27-29-52-45(31-39)47-33-48-42-23-13-15-25-55(42)66-56(48)35-54(47)65(52)59-62-57(36-16-6-3-7-17-36)61-58(63-59)37-18-8-4-9-19-37/h3-35H,1-2H3
• InChIKey: ZBHXBLLESKTREK-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.01
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole?

The IUPAC name of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223673) is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole.

What is the SMILES notation for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole?

The canonical SMILES for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)oc3ccccc35)cc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole?

The InChIKey is ZBHXBLLESKTREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N5O/c1-60(2)49-28-26-38(30-43(49)44-32-46-41-22-12-14-24-51(41)64(53(46)34-50(44)60)40-20-10-5-11-21-40)39-27-29-52-45(31-39)47-33-48-42-23-13-15-25-55(42)66-56(48)35-54(47)65(52)59-62-57(36-16-6-3-7-17-36)61-58(63-59)37-18-8-4-9-19-37/h3-35H,1-2H3.

What are the key properties of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole?

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 846.01 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).