[11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol

C29H25GeNO6 — CID 140848718

About [11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol

[11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol (PubChem CID 140848718) has the molecular formula C29H25GeNO6 and a molecular weight of 556.13 g/mol. Its IUPAC name is [11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol.

Molecular Properties

• Compound Name: [11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol
• PubChem CID: 140848718
• Molecular Formula: C29H25GeNO6
• Molecular Weight: 556.13 g/mol
• Exact Mass: 557.09
• IUPAC Name: [11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol
• SMILES: COc1ccc(N2c3ccc(CO)c4c3[Ge]3(C)c5c(cc(OC)cc5Oc5c(OC)ccc2c53)O4)cc1
• InChI: InChI=1S/C29H25GeNO6/c1-30-25-20-10-5-16(15-32)28(25)36-23-13-19(34-3)14-24(27(23)30)37-29-22(35-4)12-11-21(26(29)30)31(20)17-6-8-18(33-2)9-7-17/h5-14,32H,15H2,1-4H3
• InChIKey: LXZTWCBASDVRSZ-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 69.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.13
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol?

The IUPAC name of [11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol (CID 140848718) is [11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol.

What is the SMILES notation for [11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol?

The canonical SMILES for [11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol is COc1ccc(N2c3ccc(CO)c4c3[Ge]3(C)c5c(cc(OC)cc5Oc5c(OC)ccc2c53)O4)cc1.

What is the InChIKey of [11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol?

The InChIKey is LXZTWCBASDVRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25GeNO6/c1-30-25-20-10-5-16(15-32)28(25)36-23-13-19(34-3)14-24(27(23)30)37-29-22(35-4)12-11-21(26(29)30)31(20)17-6-8-18(33-2)9-7-17/h5-14,32H,15H2,1-4H3.

What are the key properties of [11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol?

[11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol has a molecular weight of 556.13 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [11,16-dimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]methanol is sourced from PubChem (CID 140848718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).