1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene

C33H22N2O2Si — CID 139116176

IUPAC1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene
SMILESC1=CC2=[N+]3C1=C(c1ccccc1)c1ccc4n1[Si-]3(c1ccccc1)(Oc1ccccc12)Oc1ccccc1-4
InChIInChI=1S/C33H22N2O2Si/c1-3-11-23(12-4-1)33-29-21-19-27-25-15-7-9-17-31(25)36-38(34(27)29,24-13-5-2-6-14-24)35-28(20-22-30(33)35)26-16-8-10-18-32(26)37-38/h1-22H
InChIKeyHHKKHLHQEHZTON-UHFFFAOYSA-N
MW506.64 g/mol
LogP5.93
Rot. Bonds2

About 1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene

1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene (PubChem CID 139116176) has the molecular formula C33H22N2O2Si and a molecular weight of 506.64 g/mol. Its IUPAC name is 1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene.

Molecular Properties

Compound Name1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene
PubChem CID139116176
Molecular FormulaC33H22N2O2Si
Molecular Weight506.64 g/mol
Exact Mass506.15
IUPAC Name1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene
SMILESC1=CC2=[N+]3C1=C(c1ccccc1)c1ccc4n1[Si-]3(c1ccccc1)(Oc1ccccc12)Oc1ccccc1-4
InChIInChI=1S/C33H22N2O2Si/c1-3-11-23(12-4-1)33-29-21-19-27-25-15-7-9-17-31(25)36-38(34(27)29,24-13-5-2-6-14-24)35-28(20-22-30(33)35)26-16-8-10-18-32(26)37-38/h1-22H
InChIKeyHHKKHLHQEHZTON-UHFFFAOYSA-N
XLogP5.93
TPSA26.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.64
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene?
The IUPAC name of 1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene (CID 139116176) is 1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene.
What is the SMILES notation for 1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene?
The canonical SMILES for 1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene is C1=CC2=[N+]3C1=C(c1ccccc1)c1ccc4n1[Si-]3(c1ccccc1)(Oc1ccccc12)Oc1ccccc1-4.
What is the InChIKey of 1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene?
The InChIKey is HHKKHLHQEHZTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O2Si/c1-3-11-23(12-4-1)33-29-21-19-27-25-15-7-9-17-31(25)36-38(34(27)29,24-13-5-2-6-14-24)35-28(20-22-30(33)35)26-16-8-10-18-32(26)37-38/h1-22H.
What are the key properties of 1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene?
1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene has a molecular weight of 506.64 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,13-diphenyl-2,24-dioxa-26-aza-25-azonia-1-silanuidaheptacyclo[12.10.1.11,9.03,8.017,25.018,23.012,26]hexacosa-3,5,7,9,11,13,15,17(25),18,20,22-undecaene is sourced from PubChem (CID 139116176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).