5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine

C126H80N10O4 — CID 153448932

IUPAC5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3ccccn3)ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccccn8)c8oc9nc(C([2H])([2H])[2H])ccc9c78)cc(-c7ccccc7-c7ccc(-c8ccccn8)c8oc9nc(C([2H])([2H])[2H])ccc9c78)c6)cn5)nc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)c5oc6nc(C([2H])([2H])[2H])ccc6c45)c3)c12
InChIInChI=1S/C126H80N10O4/c1-73-41-47-105-115-97(51-55-101(109-37-17-21-61-127-109)119(115)137-123(105)133-73)93-33-13-9-29-89(93)81-65-79(66-82(69-81)90-30-10-14-34-94(90)98-52-56-102(110-38-18-22-62-128-110)120-116(98)106-48-42-74(2)134-124(106)138-120)87-27-7-5-25-85(87)77-45-59-113(131-71-77)114-60-46-78(72-132-114)86-26-6-8-28-88(86)80-67-83(91-31-11-15-35-95(91)99-53-57-103(111-39-19-23-63-129-111)121-117(99)107-49-43-75(3)135-125(107)139-121)70-84(68-80)92-32-12-16-36-96(92)100-54-58-104(112-40-20-24-64-130-112)122-118(100)108-50-44-76(4)136-126(108)140-122/h5-72H,1-4H3/i1D3,2D3,3D3,4D3
InChIKeyWLYMXMQSQFATAQ-MGKWXGLJSA-N
MW1810.17 g/mol
LogP32.81
Rot. Bonds21

About 5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine

5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 153448932) has the molecular formula C126H80N10O4 and a molecular weight of 1810.17 g/mol. Its IUPAC name is 5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID153448932
Molecular FormulaC126H80N10O4
Molecular Weight1810.17 g/mol
Exact Mass1808.71
IUPAC Name5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3ccccn3)ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccccn8)c8oc9nc(C([2H])([2H])[2H])ccc9c78)cc(-c7ccccc7-c7ccc(-c8ccccn8)c8oc9nc(C([2H])([2H])[2H])ccc9c78)c6)cn5)nc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)c5oc6nc(C([2H])([2H])[2H])ccc6c45)c3)c12
InChIInChI=1S/C126H80N10O4/c1-73-41-47-105-115-97(51-55-101(109-37-17-21-61-127-109)119(115)137-123(105)133-73)93-33-13-9-29-89(93)81-65-79(66-82(69-81)90-30-10-14-34-94(90)98-52-56-102(110-38-18-22-62-128-110)120-116(98)106-48-42-74(2)134-124(106)138-120)87-27-7-5-25-85(87)77-45-59-113(131-71-77)114-60-46-78(72-132-114)86-26-6-8-28-88(86)80-67-83(91-31-11-15-35-95(91)99-53-57-103(111-39-19-23-63-129-111)121-117(99)107-49-43-75(3)135-125(107)139-121)70-84(68-80)92-32-12-16-36-96(92)100-54-58-104(112-40-20-24-64-130-112)122-118(100)108-50-44-76(4)136-126(108)140-122/h5-72H,1-4H3/i1D3,2D3,3D3,4D3
InChIKeyWLYMXMQSQFATAQ-MGKWXGLJSA-N
XLogP32.81
TPSA181.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms140
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001810.17
LogP ≤ 532.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine (CID 153448932) is 5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3ccccn3)ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccccn8)c8oc9nc(C([2H])([2H])[2H])ccc9c78)cc(-c7ccccc7-c7ccc(-c8ccccn8)c8oc9nc(C([2H])([2H])[2H])ccc9c78)c6)cn5)nc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)c5oc6nc(C([2H])([2H])[2H])ccc6c45)c3)c12.
What is the InChIKey of 5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is WLYMXMQSQFATAQ-MGKWXGLJSA-N. The full InChI is InChI=1S/C126H80N10O4/c1-73-41-47-105-115-97(51-55-101(109-37-17-21-61-127-109)119(115)137-123(105)133-73)93-33-13-9-29-89(93)81-65-79(66-82(69-81)90-30-10-14-34-94(90)98-52-56-102(110-38-18-22-62-128-110)120-116(98)106-48-42-74(2)134-124(106)138-120)87-27-7-5-25-85(87)77-45-59-113(131-71-77)114-60-46-78(72-132-114)86-26-6-8-28-88(86)80-67-83(91-31-11-15-35-95(91)99-53-57-103(111-39-19-23-63-129-111)121-117(99)107-49-43-75(3)135-125(107)139-121)70-84(68-80)92-32-12-16-36-96(92)100-54-58-104(112-40-20-24-64-130-112)122-118(100)108-50-44-76(4)136-126(108)140-122/h5-72H,1-4H3/i1D3,2D3,3D3,4D3.
What are the key properties of 5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine?
5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1810.17 g/mol, XLogP of 32.81, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridin-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 153448932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).