6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

C29H25NO6Si — CID 163460193

IUPAC6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCOc1ccc(N2c3ccc(OC)c4c3[Si]3(C)c5c(cc(OC)cc5Oc5c(OC)ccc2c53)O4)cc1
InChIInChI=1S/C29H25NO6Si/c1-31-17-8-6-16(7-9-17)30-19-10-12-21(33-3)25-27(19)37(5)28-20(30)11-13-22(34-4)26(28)36-24-15-18(32-2)14-23(35-25)29(24)37/h6-15H,1-5H3
InChIKeyBNXAXNUFEUFOOD-UHFFFAOYSA-N
MW511.61 g/mol
LogP4.82
Rot. Bonds5

About 6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 163460193) has the molecular formula C29H25NO6Si and a molecular weight of 511.61 g/mol. Its IUPAC name is 6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID163460193
Molecular FormulaC29H25NO6Si
Molecular Weight511.61 g/mol
Exact Mass511.15
IUPAC Name6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCOc1ccc(N2c3ccc(OC)c4c3[Si]3(C)c5c(cc(OC)cc5Oc5c(OC)ccc2c53)O4)cc1
InChIInChI=1S/C29H25NO6Si/c1-31-17-8-6-16(7-9-17)30-19-10-12-21(33-3)25-27(19)37(5)28-20(30)11-13-22(34-4)26(28)36-24-15-18(32-2)14-23(35-25)29(24)37/h6-15H,1-5H3
InChIKeyBNXAXNUFEUFOOD-UHFFFAOYSA-N
XLogP4.82
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.61
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 163460193) is 6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is COc1ccc(N2c3ccc(OC)c4c3[Si]3(C)c5c(cc(OC)cc5Oc5c(OC)ccc2c53)O4)cc1.
What is the InChIKey of 6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is BNXAXNUFEUFOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO6Si/c1-31-17-8-6-16(7-9-17)30-19-10-12-21(33-3)25-27(19)37(5)28-20(30)11-13-22(34-4)26(28)36-24-15-18(32-2)14-23(35-25)29(24)37/h6-15H,1-5H3.
What are the key properties of 6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 511.61 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 163460193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).