9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene]

C152H144N12O12 — CID 159933190

IUPAC9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene]
SMILESC1=Nc2c(cccc2-c2ccccc2)OCC2(COc3cccc(-c4ccccc4)c3N=1)COc1cccc(-c3ccccc3)c1N=C=Nc1c(cccc1-c1ccccc1)OC2.C1=Nc2c(cccc2-c2ccccc2)OCCOc2cccc(-c3ccccc3)c2N=1.Cc1ccc(C(C)C)c2c1OCC1(COc3c(C)ccc(C(C)C)c3N=C=N2)COc2c(C)ccc(C(C)C)c2N=C=Nc2c(C(C)C)ccc(C)c2OC1.Cc1ccc(C(C)C)c2c1OCCOc1c(C)ccc(C(C)C)c1N=C=N2
InChIInChI=1S/C55H40N4O4.C47H56N4O4.C27H20N2O2.C23H28N2O2/c1-5-17-39(18-6-1)43-25-13-29-47-51(43)56-37-57-52-44(40-19-7-2-8-20-40)26-14-30-48(52)61-34-55(33-60-47)35-62-49-31-15-27-45(41-21-9-3-10-22-41)53(49)58-38-59-54-46(42-23-11-4-12-24-42)28-16-32-50(54)63-36-55;1-27(2)35-17-13-31(9)43-39(35)48-25-49-40-36(28(3)4)18-14-32(10)44(40)53-22-47(21-52-43)23-54-45-33(11)15-19-37(29(5)6)41(45)50-26-51-42-38(30(7)8)20-16-34(12)46(42)55-24-47;1-3-9-20(10-4-1)22-13-7-15-24-26(22)28-19-29-27-23(21-11-5-2-6-12-21)14-8-16-25(27)31-18-17-30-24;1-14(2)18-9-7-16(5)22-20(18)24-13-25-21-19(15(3)4)10-8-17(6)23(21)27-12-11-26-22/h1-32H,33-36H2;13-20,27-30H,21-24H2,1-12H3;1-16H,17-18H2;7-10,14-15H,11-12H2,1-6H3
InChIKeyNZXFYNWASLZYTR-UHFFFAOYSA-N
MW2330.90 g/mol
LogP40.16
Rot. Bonds12

About 9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene]

9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene] (PubChem CID 159933190) has the molecular formula C152H144N12O12 and a molecular weight of 2330.90 g/mol. Its IUPAC name is 9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene].

Molecular Properties

Compound Name9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene]
PubChem CID159933190
Molecular FormulaC152H144N12O12
Molecular Weight2330.90 g/mol
Exact Mass2329.10
IUPAC Name9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene]
SMILESC1=Nc2c(cccc2-c2ccccc2)OCC2(COc3cccc(-c4ccccc4)c3N=1)COc1cccc(-c3ccccc3)c1N=C=Nc1c(cccc1-c1ccccc1)OC2.C1=Nc2c(cccc2-c2ccccc2)OCCOc2cccc(-c3ccccc3)c2N=1.Cc1ccc(C(C)C)c2c1OCC1(COc3c(C)ccc(C(C)C)c3N=C=N2)COc2c(C)ccc(C(C)C)c2N=C=Nc2c(C(C)C)ccc(C)c2OC1.Cc1ccc(C(C)C)c2c1OCCOc1c(C)ccc(C(C)C)c1N=C=N2
InChIInChI=1S/C55H40N4O4.C47H56N4O4.C27H20N2O2.C23H28N2O2/c1-5-17-39(18-6-1)43-25-13-29-47-51(43)56-37-57-52-44(40-19-7-2-8-20-40)26-14-30-48(52)61-34-55(33-60-47)35-62-49-31-15-27-45(41-21-9-3-10-22-41)53(49)58-38-59-54-46(42-23-11-4-12-24-42)28-16-32-50(54)63-36-55;1-27(2)35-17-13-31(9)43-39(35)48-25-49-40-36(28(3)4)18-14-32(10)44(40)53-22-47(21-52-43)23-54-45-33(11)15-19-37(29(5)6)41(45)50-26-51-42-38(30(7)8)20-16-34(12)46(42)55-24-47;1-3-9-20(10-4-1)22-13-7-15-24-26(22)28-19-29-27-23(21-11-5-2-6-12-21)14-8-16-25(27)31-18-17-30-24;1-14(2)18-9-7-16(5)22-20(18)24-13-25-21-19(15(3)4)10-8-17(6)23(21)27-12-11-26-22/h1-32H,33-36H2;13-20,27-30H,21-24H2,1-12H3;1-16H,17-18H2;7-10,14-15H,11-12H2,1-6H3
InChIKeyNZXFYNWASLZYTR-UHFFFAOYSA-N
XLogP40.16
TPSA259.08 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002330.90
LogP ≤ 540.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene] 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 9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene]?
The IUPAC name of 9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene] (CID 159933190) is 9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene].
What is the SMILES notation for 9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene]?
The canonical SMILES for 9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene] is C1=Nc2c(cccc2-c2ccccc2)OCC2(COc3cccc(-c4ccccc4)c3N=1)COc1cccc(-c3ccccc3)c1N=C=Nc1c(cccc1-c1ccccc1)OC2.C1=Nc2c(cccc2-c2ccccc2)OCCOc2cccc(-c3ccccc3)c2N=1.Cc1ccc(C(C)C)c2c1OCC1(COc3c(C)ccc(C(C)C)c3N=C=N2)COc2c(C)ccc(C(C)C)c2N=C=Nc2c(C(C)C)ccc(C)c2OC1.Cc1ccc(C(C)C)c2c1OCCOc1c(C)ccc(C(C)C)c1N=C=N2.
What is the InChIKey of 9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene]?
The InChIKey is NZXFYNWASLZYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4O4.C47H56N4O4.C27H20N2O2.C23H28N2O2/c1-5-17-39(18-6-1)43-25-13-29-47-51(43)56-37-57-52-44(40-19-7-2-8-20-40)26-14-30-48(52)61-34-55(33-60-47)35-62-49-31-15-27-45(41-21-9-3-10-22-41)53(49)58-38-59-54-46(42-23-11-4-12-24-42)28-16-32-50(54)63-36-55;1-27(2)35-17-13-31(9)43-39(35)48-25-49-40-36(28(3)4)18-14-32(10)44(40)53-22-47(21-52-43)23-54-45-33(11)15-19-37(29(5)6)41(45)50-26-51-42-38(30(7)8)20-16-34(12)46(42)55-24-47;1-3-9-20(10-4-1)22-13-7-15-24-26(22)28-19-29-27-23(21-11-5-2-6-12-21)14-8-16-25(27)31-18-17-30-24;1-14(2)18-9-7-16(5)22-20(18)24-13-25-21-19(15(3)4)10-8-17(6)23(21)27-12-11-26-22/h1-32H,33-36H2;13-20,27-30H,21-24H2,1-12H3;1-16H,17-18H2;7-10,14-15H,11-12H2,1-6H3.
What are the key properties of 9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene]?
9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene] has a molecular weight of 2330.90 g/mol, XLogP of 40.16, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 9,16-dimethyl-6,19-di(propan-2-yl)-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;6,19-diphenyl-11,14-dioxa-2,4-diazatricyclo[13.4.0.05,10]nonadeca-1(19),2,3,5,7,9,15,17-octaene;9,9',17,17'-tetramethyl-6,6',20,20'-tetra(propan-2-yl)-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene];6,6',20,20'-tetraphenyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene] is sourced from PubChem (CID 159933190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).