6,11,16-trimethoxy-22-(4-methoxyphenyl)-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

C28H23NO6Si — CID 147958465

IUPAC6,11,16-trimethoxy-22-(4-methoxyphenyl)-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[SiH]3c5c(cc(OC)cc5Oc5c(OC)ccc2c53)O4)cc1
InChIInChI=1S/C28H23NO6Si/c1-30-16-7-5-15(6-8-16)29-18-9-11-20(32-3)24-26(18)36-27-19(29)10-12-21(33-4)25(27)35-23-14-17(31-2)13-22(34-24)28(23)36/h5-14,36H,1-4H3
InChIKeyIOZTUCQAPFLKLP-UHFFFAOYSA-N
MW497.58 g/mol
LogP3.96
Rot. Bonds5

About 6,11,16-trimethoxy-22-(4-methoxyphenyl)-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)-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 147958465) has the molecular formula C28H23NO6Si and a molecular weight of 497.58 g/mol. Its IUPAC name is 6,11,16-trimethoxy-22-(4-methoxyphenyl)-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)-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 CID147958465
Molecular FormulaC28H23NO6Si
Molecular Weight497.58 g/mol
Exact Mass497.13
IUPAC Name6,11,16-trimethoxy-22-(4-methoxyphenyl)-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[SiH]3c5c(cc(OC)cc5Oc5c(OC)ccc2c53)O4)cc1
InChIInChI=1S/C28H23NO6Si/c1-30-16-7-5-15(6-8-16)29-18-9-11-20(32-3)24-26(18)36-27-19(29)10-12-21(33-4)25(27)35-23-14-17(31-2)13-22(34-24)28(23)36/h5-14,36H,1-4H3
InChIKeyIOZTUCQAPFLKLP-UHFFFAOYSA-N
XLogP3.96
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 53.96
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)-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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Related Compounds

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
[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
[4,5,6,7-tetrachloro-11',16'-dimethoxy-22'-(4-methoxyphenyl)spiro[1,3,2λ5-benzodioxastibole-2,1'-8,14-dioxa-22-aza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene]-6'-yl]methanol
CID 140848677
10-(4-methoxyphenyl)-3,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine
CID 59302117
10,11,12-trimethoxy-22-(4-methoxyphenyl)-8,14-dioxa-22-aza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 171591041
2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine]
CID 102495613
10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine
CID 59302133
3,4-dihydroxy-7-methoxy-3H-1,4-benzoxazin-2-one
CID 71333801
5,5',7-trimethoxy-1',3',3'-trimethylspiro[1,4-benzoxazine-2,2'-indole]
CID 14670614
5,7-dimethoxy-3-(4-methoxyphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 10470962
2,2-difluoro-4,6-dimethoxy-1,3-benzodioxole
CID 166608241
4-(4-methoxyphenyl)-2,2-dimethyl-1,4-benzoxazin-3-one
CID 141180829

Frequently Asked Questions

What is the IUPAC name of 6,11,16-trimethoxy-22-(4-methoxyphenyl)-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)-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 147958465) is 6,11,16-trimethoxy-22-(4-methoxyphenyl)-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)-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)-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[SiH]3c5c(cc(OC)cc5Oc5c(OC)ccc2c53)O4)cc1.
What is the InChIKey of 6,11,16-trimethoxy-22-(4-methoxyphenyl)-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 IOZTUCQAPFLKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO6Si/c1-30-16-7-5-15(6-8-16)29-18-9-11-20(32-3)24-26(18)36-27-19(29)10-12-21(33-4)25(27)35-23-14-17(31-2)13-22(34-24)28(23)36/h5-14,36H,1-4H3.
What are the key properties of 6,11,16-trimethoxy-22-(4-methoxyphenyl)-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)-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 497.58 g/mol, XLogP of 3.96, 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)-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 147958465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).