19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene

C48H32N2O3Si — CID 155625105

About 19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene

19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene (PubChem CID 155625105) has the molecular formula C48H32N2O3Si and a molecular weight of 712.88 g/mol. Its IUPAC name is 19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene.

Molecular Properties

• Compound Name: 19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene
• PubChem CID: 155625105
• Molecular Formula: C48H32N2O3Si
• Molecular Weight: 712.88 g/mol
• Exact Mass: 712.22
• IUPAC Name: 19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene
• SMILES: c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccccc4)ccc2N2c4ccccc4Oc4ccccc4[Si]24c2ccccc2Oc2ccccc2N34)cc1
• InChI: InChI=1S/C48H32N2O3Si/c1-3-15-33(16-4-1)35-27-29-39-45(31-35)53-46-32-36(34-17-5-2-6-18-34)28-30-40(46)50-38-20-8-10-22-42(38)52-44-24-12-14-26-48(44)54(50)47-25-13-11-23-43(47)51-41-21-9-7-19-37(41)49(39)54/h1-32H
• InChIKey: PVPDSTCSBZLJSR-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 34.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.88
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene?

The IUPAC name of 19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene (CID 155625105) is 19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene.

What is the SMILES notation for 19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene?

The canonical SMILES for 19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene is c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccccc4)ccc2N2c4ccccc4Oc4ccccc4[Si]24c2ccccc2Oc2ccccc2N34)cc1.

What is the InChIKey of 19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene?

The InChIKey is PVPDSTCSBZLJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O3Si/c1-3-15-33(16-4-1)35-27-29-39-45(31-35)53-46-32-36(34-17-5-2-6-18-34)28-30-40(46)50-38-20-8-10-22-42(38)52-44-24-12-14-26-48(44)54(50)47-25-13-11-23-43(47)51-41-21-9-7-19-37(41)49(39)54/h1-32H.

What are the key properties of 19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene?

19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene has a molecular weight of 712.88 g/mol, XLogP of 11.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 19,25-diphenyl-8,22,36-trioxa-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene is sourced from PubChem (CID 155625105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).