8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole

C62H38N6O2 — CID 70805764

IUPAC8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole
SMILESC1=C(c2cccc3c2oc2ccc(-c4ccc5c(c4)c4ncccc4n5-c4c(-c5ccccn5)cccc4-c4ccccn4)cc23)CCc2c1c1cnccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C62H38N6O2/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/h1-19,21-23,25-36H,20,24H2
InChIKeyWPSCLFKBXMJURY-UHFFFAOYSA-N
MW899.03 g/mol
LogP15.59
Rot. Bonds6

About 8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole

8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole (PubChem CID 70805764) has the molecular formula C62H38N6O2 and a molecular weight of 899.03 g/mol. Its IUPAC name is 8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole
PubChem CID70805764
Molecular FormulaC62H38N6O2
Molecular Weight899.03 g/mol
Exact Mass898.31
IUPAC Name8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole
SMILESC1=C(c2cccc3c2oc2ccc(-c4ccc5c(c4)c4ncccc4n5-c4c(-c5ccccn5)cccc4-c4ccccn4)cc23)CCc2c1c1cnccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C62H38N6O2/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/h1-19,21-23,25-36H,20,24H2
InChIKeyWPSCLFKBXMJURY-UHFFFAOYSA-N
XLogP15.59
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.03
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole?
The IUPAC name of 8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole (CID 70805764) is 8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole.
What is the SMILES notation for 8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole?
The canonical SMILES for 8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole is C1=C(c2cccc3c2oc2ccc(-c4ccc5c(c4)c4ncccc4n5-c4c(-c5ccccn5)cccc4-c4ccccn4)cc23)CCc2c1c1cnccc1n2-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole?
The InChIKey is WPSCLFKBXMJURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N6O2/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/h1-19,21-23,25-36H,20,24H2.
What are the key properties of 8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole?
8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole has a molecular weight of 899.03 g/mol, XLogP of 15.59, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(5-dibenzofuran-2-yl-6,7-dihydropyrido[4,3-b]indol-8-yl)dibenzofuran-2-yl]-5-(2,6-dipyridin-2-ylphenyl)pyrido[3,2-b]indole is sourced from PubChem (CID 70805764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).