19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene

C58H36N4O2Si2 — CID 158487110

About 19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene

19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene (PubChem CID 158487110) has the molecular formula C58H36N4O2Si2 and a molecular weight of 877.12 g/mol. Its IUPAC name is 19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene.

Molecular Properties

• Compound Name: 19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene
• PubChem CID: 158487110
• Molecular Formula: C58H36N4O2Si2
• Molecular Weight: 877.12 g/mol
• Exact Mass: 876.24
• IUPAC Name: 19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene
• SMILES: c1ccc(N2c3cccc4c3[SiH]3c5c(cccc5N(c5ccccc5)c5c3c2cc2c3c6c(cc52)N(c2ccccc2)c2cccc5c2[SiH]6c2c(cccc2N3c2ccccc2)O5)O4)cc1
• InChI: InChI=1S/C58H36N4O2Si2/c1-5-17-35(18-6-1)59-41-25-13-29-47-53(41)65-55-43(27-15-31-49(55)63-47)61(37-21-9-3-10-22-37)51-40-34-46-58-52(39(40)33-45(59)57(51)65)62(38-23-11-4-12-24-38)44-28-16-32-50-56(44)66(58)54-42(26-14-30-48(54)64-50)60(46)36-19-7-2-8-20-36/h1-34,65-66H
• InChIKey: ZHCWECWIWWBWCW-UHFFFAOYSA-N
• XLogP: 10.68
• TPSA: 31.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.12
LogP ≤ 5	10.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene?

The IUPAC name of 19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene (CID 158487110) is 19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene.

What is the SMILES notation for 19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene?

The canonical SMILES for 19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene is c1ccc(N2c3cccc4c3[SiH]3c5c(cccc5N(c5ccccc5)c5c3c2cc2c3c6c(cc52)N(c2ccccc2)c2cccc5c2[SiH]6c2c(cccc2N3c2ccccc2)O5)O4)cc1.

What is the InChIKey of 19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene?

The InChIKey is ZHCWECWIWWBWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O2Si2/c1-5-17-35(18-6-1)59-41-25-13-29-47-53(41)65-55-43(27-15-31-49(55)63-47)61(37-21-9-3-10-22-37)51-40-34-46-58-52(39(40)33-45(59)57(51)65)62(38-23-11-4-12-24-38)44-28-16-32-50-56(44)66(58)54-42(26-14-30-48(54)64-50)60(46)36-19-7-2-8-20-36/h1-34,65-66H.

What are the key properties of 19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene?

19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene has a molecular weight of 877.12 g/mol, XLogP of 10.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 19,24,38,42-tetraphenyl-13,40-dioxa-19,24,38,42-tetraza-6,31-disiladodecacyclo[21.15.1.14,8.16,14.129,33.02,21.05,20.07,12.025,30.031,39.032,37.018,41]dotetraconta-1(39),2,4,7,9,11,14,16,18(41),20,22,25(30),26,28,32(37),33,35-heptadecaene is sourced from PubChem (CID 158487110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).