5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole

C62H36N6O2 — CID 58099603

About 5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole

5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole (PubChem CID 58099603) has the molecular formula C62H36N6O2 and a molecular weight of 897.01 g/mol. Its IUPAC name is 5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole
• PubChem CID: 58099603
• Molecular Formula: C62H36N6O2
• Molecular Weight: 897.01 g/mol
• Exact Mass: 896.29
• IUPAC Name: 5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole
• SMILES: c1ccc(-c2cccc(-c3ccccn3)c2-n2c3ccc(-c4ccc5oc6c(-c7ccc8c(c7)c7cnccc7n8-c7ccc8oc9ccccc9c8c7)cccc6c5c4)cc3c3ncccc32)nc1
• InChI: InChI=1S/C62H36N6O2/c1-2-18-57-42(10-1)48-35-40(22-26-58(48)69-57)67-53-24-20-39(34-46(53)50-36-63-31-27-55(50)67)41-11-7-12-43-47-32-38(21-25-59(47)70-62(41)43)37-19-23-54-49(33-37)60-56(17-9-30-66-60)68(54)61-44(51-15-3-5-28-64-51)13-8-14-45(61)52-16-4-6-29-65-52/h1-36H
• InChIKey: GLSFJGUVICKURN-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 87.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.01
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole?

The IUPAC name of 5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole (CID 58099603) is 5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole?

The canonical SMILES for 5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole is c1ccc(-c2cccc(-c3ccccn3)c2-n2c3ccc(-c4ccc5oc6c(-c7ccc8c(c7)c7cnccc7n8-c7ccc8oc9ccccc9c8c7)cccc6c5c4)cc3c3ncccc32)nc1.

What is the InChIKey of 5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole?

The InChIKey is GLSFJGUVICKURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N6O2/c1-2-18-57-42(10-1)48-35-40(22-26-58(48)69-57)67-53-24-20-39(34-46(53)50-36-63-31-27-55(50)67)41-11-7-12-43-47-32-38(21-25-59(47)70-62(41)43)37-19-23-54-49(33-37)60-56(17-9-30-66-60)68(54)61-44(51-15-3-5-28-64-51)13-8-14-45(61)52-16-4-6-29-65-52/h1-36H.

What are the key properties of 5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole?

5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole has a molecular weight of 897.01 g/mol, XLogP of 15.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-dibenzofuran-2-yl-8-[8-[5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indol-8-yl]dibenzofuran-4-yl]pyrido[4,3-b]indole is sourced from PubChem (CID 58099603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).