7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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]

C66H56N8O10 — CID 159786648

About 7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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]

7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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 159786648) has the molecular formula C66H56N8O10 and a molecular weight of 1121.22 g/mol. Its IUPAC name is 7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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 Name: 7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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: 159786648
• Molecular Formula: C66H56N8O10
• Molecular Weight: 1121.22 g/mol
• Exact Mass: 1120.41
• IUPAC Name: 7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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]
• SMILES: C1=Nc2ccccc2OCC2(COc3ccccc3N=1)COc1ccccc1N=C=Nc1ccccc1OC2.COc1ccc2c(c1)N=C=Nc1cc(C)ccc1OCC1(COc3ccc(C)cc3N=C=Nc3cc(OC)ccc3OC1)CO2
• InChI: InChI=1S/C35H32N4O6.C31H24N4O4/c1-23-5-9-31-27(13-23)36-21-38-29-15-25(40-3)7-11-33(29)44-19-35(17-42-31)18-43-32-10-6-24(2)14-28(32)37-22-39-30-16-26(41-4)8-12-34(30)45-20-35;1-5-13-27-23(9-1)32-21-33-24-10-2-6-14-28(24)37-18-31(17-36-27)19-38-29-15-7-3-11-25(29)34-22-35-26-12-4-8-16-30(26)39-20-31/h5-16H,17-20H2,1-4H3;1-16H,17-20H2
• InChIKey: NIAMAXLIWIYKST-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 191.18 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 2
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.22
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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 7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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 159786648) is 7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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 7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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 7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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=Nc2ccccc2OCC2(COc3ccccc3N=1)COc1ccccc1N=C=Nc1ccccc1OC2.COc1ccc2c(c1)N=C=Nc1cc(C)ccc1OCC1(COc3ccc(C)cc3N=C=Nc3cc(OC)ccc3OC1)CO2.

What is the InChIKey of 7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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 NIAMAXLIWIYKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O6.C31H24N4O4/c1-23-5-9-31-27(13-23)36-21-38-29-15-25(40-3)7-11-33(29)44-19-35(17-42-31)18-43-32-10-6-24(2)14-28(32)37-22-39-30-16-26(41-4)8-12-34(30)45-20-35;1-5-13-27-23(9-1)32-21-33-24-10-2-6-14-28(24)37-18-31(17-36-27)19-38-29-15-7-3-11-25(29)34-22-35-26-12-4-8-16-30(26)39-20-31/h5-16H,17-20H2,1-4H3;1-16H,17-20H2.

What are the key properties of 7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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]?

7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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 1121.22 g/mol, XLogP of 15.01, 2 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7'-dimethoxy-19,19'-dimethyl-13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(16),2,3,5(10),6,8,17,19-octaene];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 159786648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).