15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one

C96H50N8O4 — CID 123511276

IUPAC15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
SMILESO=c1c2ccc(-c3ccc4c(=O)n5c6cc(-c7cccc(-c8cc(-c9ccccc9)c9nc%10c%11cccc%12c(-c%13ccc%14c(=O)n%15c%16cc(-c%17ccccc%17)cc(-c%17ccccc%17)c%16nc%15c%15cccc%13c%14%15)ccc(c(=O)n%10c9c8)c%12%11)c7)ccc6nc5c5cccc3c45)c3cccc(c32)c2nc3ccccc3n12
InChIInChI=1S/C96H50N8O4/c105-93-71-40-36-59(63-25-13-29-67(83(63)71)89-97-77-33-10-11-34-79(77)101(89)93)60-37-41-72-84-64(60)26-14-30-68(84)90-98-78-44-35-56(48-80(78)102(90)94(72)106)54-23-12-24-55(45-54)58-47-76(53-21-8-3-9-22-53)88-82(50-58)104-92(100-88)70-32-16-28-66-62(39-43-74(86(66)70)96(104)108)61-38-42-73-85-65(61)27-15-31-69(85)91-99-87-75(52-19-6-2-7-20-52)46-57(51-17-4-1-5-18-51)49-81(87)103(91)95(73)107/h1-50H
InChIKeyNEPGBMXWXPUHDL-UHFFFAOYSA-N
MW1379.51 g/mol
LogP20.98
Rot. Bonds7

About 15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one

15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one (PubChem CID 123511276) has the molecular formula C96H50N8O4 and a molecular weight of 1379.51 g/mol. Its IUPAC name is 15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one.

Molecular Properties

Compound Name15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
PubChem CID123511276
Molecular FormulaC96H50N8O4
Molecular Weight1379.51 g/mol
Exact Mass1378.40
IUPAC Name15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
SMILESO=c1c2ccc(-c3ccc4c(=O)n5c6cc(-c7cccc(-c8cc(-c9ccccc9)c9nc%10c%11cccc%12c(-c%13ccc%14c(=O)n%15c%16cc(-c%17ccccc%17)cc(-c%17ccccc%17)c%16nc%15c%15cccc%13c%14%15)ccc(c(=O)n%10c9c8)c%12%11)c7)ccc6nc5c5cccc3c45)c3cccc(c32)c2nc3ccccc3n12
InChIInChI=1S/C96H50N8O4/c105-93-71-40-36-59(63-25-13-29-67(83(63)71)89-97-77-33-10-11-34-79(77)101(89)93)60-37-41-72-84-64(60)26-14-30-68(84)90-98-78-44-35-56(48-80(78)102(90)94(72)106)54-23-12-24-55(45-54)58-47-76(53-21-8-3-9-22-53)88-82(50-58)104-92(100-88)70-32-16-28-66-62(39-43-74(86(66)70)96(104)108)61-38-42-73-85-65(61)27-15-31-69(85)91-99-87-75(52-19-6-2-7-20-52)46-57(51-17-4-1-5-18-51)49-81(87)103(91)95(73)107/h1-50H
InChIKeyNEPGBMXWXPUHDL-UHFFFAOYSA-N
XLogP20.98
TPSA137.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.51
LogP ≤ 520.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one?
The IUPAC name of 15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one (CID 123511276) is 15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one.
What is the SMILES notation for 15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one?
The canonical SMILES for 15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one is O=c1c2ccc(-c3ccc4c(=O)n5c6cc(-c7cccc(-c8cc(-c9ccccc9)c9nc%10c%11cccc%12c(-c%13ccc%14c(=O)n%15c%16cc(-c%17ccccc%17)cc(-c%17ccccc%17)c%16nc%15c%15cccc%13c%14%15)ccc(c(=O)n%10c9c8)c%12%11)c7)ccc6nc5c5cccc3c45)c3cccc(c32)c2nc3ccccc3n12.
What is the InChIKey of 15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one?
The InChIKey is NEPGBMXWXPUHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H50N8O4/c105-93-71-40-36-59(63-25-13-29-67(83(63)71)89-97-77-33-10-11-34-79(77)101(89)93)60-37-41-72-84-64(60)26-14-30-68(84)90-98-78-44-35-56(48-80(78)102(90)94(72)106)54-23-12-24-55(45-54)58-47-76(53-21-8-3-9-22-53)88-82(50-58)104-92(100-88)70-32-16-28-66-62(39-43-74(86(66)70)96(104)108)61-38-42-73-85-65(61)27-15-31-69(85)91-99-87-75(52-19-6-2-7-20-52)46-57(51-17-4-1-5-18-51)49-81(87)103(91)95(73)107/h1-50H.
What are the key properties of 15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one?
15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one has a molecular weight of 1379.51 g/mol, XLogP of 20.98, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[11-oxo-7-[3-[11-oxo-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-7-yl]phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl]-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one is sourced from PubChem (CID 123511276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).