7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

C64H38N4O2 — CID 134223311

About 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223311) has the molecular formula C64H38N4O2 and a molecular weight of 895.03 g/mol. Its IUPAC name is 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
• PubChem CID: 134223311
• Molecular Formula: C64H38N4O2
• Molecular Weight: 895.03 g/mol
• Exact Mass: 894.30
• IUPAC Name: 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
• SMILES: c1ccc(-c2cc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6cc8c(cc6n7-c6ccccc6)oc6ccccc68)cc5c5cc6c(cc54)oc4ccccc46)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C64H38N4O2/c1-4-15-39(16-5-1)54-36-55(66-64(65-54)40-17-6-2-7-18-40)43-19-14-22-45(31-43)68-57-30-28-42(33-49(57)51-35-53-47-24-11-13-26-61(47)70-63(53)38-59(51)68)41-27-29-56-48(32-41)50-34-52-46-23-10-12-25-60(46)69-62(52)37-58(50)67(56)44-20-8-3-9-21-44/h1-38H
• InChIKey: GIZNGPMFSGTELO-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 61.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.03
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?

The IUPAC name of 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223311) is 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.

What is the SMILES notation for 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?

The canonical SMILES for 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2cc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6cc8c(cc6n7-c6ccccc6)oc6ccccc68)cc5c5cc6c(cc54)oc4ccccc46)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?

The InChIKey is GIZNGPMFSGTELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4O2/c1-4-15-39(16-5-1)54-36-55(66-64(65-54)40-17-6-2-7-18-40)43-19-14-22-45(31-43)68-57-30-28-42(33-49(57)51-35-53-47-24-11-13-26-61(47)70-63(53)38-59(51)68)41-27-29-56-48(32-41)50-34-52-46-23-10-12-25-60(46)69-62(52)37-58(50)67(56)44-20-8-3-9-21-44/h1-38H.

What are the key properties of 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?

7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 895.03 g/mol, XLogP of 17.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).