5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole

C54H30N8O2 — CID 58099660

IUPAC5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole
SMILESc1cncc(-c2cc(-n3c4ccccc4c4nccnc43)c3oc4ccc(-c5ccc6oc7c(-c8cccnc8)cc(-n8c9ccccc9c9nccnc98)cc7c6c5)cc4c3c2)c1
InChIInChI=1S/C54H30N8O2/c1-3-11-44-37(9-1)49-53(59-21-19-57-49)61(44)36-27-39(34-8-6-18-56-30-34)51-43(28-36)41-24-32(13-15-47(41)63-51)31-14-16-48-40(23-31)42-25-35(33-7-5-17-55-29-33)26-46(52(42)64-48)62-45-12-4-2-10-38(45)50-54(62)60-22-20-58-50/h1-30H
InChIKeyUPVIPHOZMNWBSM-UHFFFAOYSA-N
MW822.89 g/mol
LogP13.05
Rot. Bonds5

About 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole

5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole (PubChem CID 58099660) has the molecular formula C54H30N8O2 and a molecular weight of 822.89 g/mol. Its IUPAC name is 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole.

Molecular Properties

Compound Name5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole
PubChem CID58099660
Molecular FormulaC54H30N8O2
Molecular Weight822.89 g/mol
Exact Mass822.25
IUPAC Name5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole
SMILESc1cncc(-c2cc(-n3c4ccccc4c4nccnc43)c3oc4ccc(-c5ccc6oc7c(-c8cccnc8)cc(-n8c9ccccc9c9nccnc98)cc7c6c5)cc4c3c2)c1
InChIInChI=1S/C54H30N8O2/c1-3-11-44-37(9-1)49-53(59-21-19-57-49)61(44)36-27-39(34-8-6-18-56-30-34)51-43(28-36)41-24-32(13-15-47(41)63-51)31-14-16-48-40(23-31)42-25-35(33-7-5-17-55-29-33)26-46(52(42)64-48)62-45-12-4-2-10-38(45)50-54(62)60-22-20-58-50/h1-30H
InChIKeyUPVIPHOZMNWBSM-UHFFFAOYSA-N
XLogP13.05
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.89
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole?
The IUPAC name of 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole (CID 58099660) is 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole.
What is the SMILES notation for 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole?
The canonical SMILES for 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole is c1cncc(-c2cc(-n3c4ccccc4c4nccnc43)c3oc4ccc(-c5ccc6oc7c(-c8cccnc8)cc(-n8c9ccccc9c9nccnc98)cc7c6c5)cc4c3c2)c1.
What is the InChIKey of 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole?
The InChIKey is UPVIPHOZMNWBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N8O2/c1-3-11-44-37(9-1)49-53(59-21-19-57-49)61(44)36-27-39(34-8-6-18-56-30-34)51-43(28-36)41-24-32(13-15-47(41)63-51)31-14-16-48-40(23-31)42-25-35(33-7-5-17-55-29-33)26-46(52(42)64-48)62-45-12-4-2-10-38(45)50-54(62)60-22-20-58-50/h1-30H.
What are the key properties of 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole?
5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole has a molecular weight of 822.89 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole is sourced from PubChem (CID 58099660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).