5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole

C58H44N4O2 — CID 170677138

About 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole

5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole (PubChem CID 170677138) has the molecular formula C58H44N4O2 and a molecular weight of 829.02 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 170677138
• Molecular Formula: C58H44N4O2
• Molecular Weight: 829.02 g/mol
• Exact Mass: 828.35
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3c4oc5ccccc5c4c(Oc4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C58H44N4O2/c1-58(2,3)40-32-33-59-53(34-40)62-47-28-12-10-24-45(47)54-50(62)36-52(55-46-25-11-15-31-51(46)64-57(54)55)63-42-23-16-22-41(35-42)60-37-61(49-30-14-13-29-48(49)60)56-43(38-18-6-4-7-19-38)26-17-27-44(56)39-20-8-5-9-21-39/h4-36H,37H2,1-3H3
• InChIKey: RCXDMBDLFZNJJD-UHFFFAOYSA-N
• XLogP: 15.75
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.02
LogP ≤ 5	15.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole (CID 170677138) is 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3c4oc5ccccc5c4c(Oc4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)c1.

What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is RCXDMBDLFZNJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N4O2/c1-58(2,3)40-32-33-59-53(34-40)62-47-28-12-10-24-45(47)54-50(62)36-52(55-46-25-11-15-31-51(46)64-57(54)55)63-42-23-16-22-41(35-42)60-37-61(49-30-14-13-29-48(49)60)56-43(38-18-6-4-7-19-38)26-17-27-44(56)39-20-8-5-9-21-39/h4-36H,37H2,1-3H3.

What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole?

5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 829.02 g/mol, XLogP of 15.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 170677138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).