8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene

C36H24N2O2SSi — CID 155625091

IUPAC8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene
SMILESc1ccc2c(c1)Oc1ccccc1[Si]13c4ccccc4Oc4ccccc4N1c1ccccc1Sc1ccccc1N23
InChIInChI=1S/C36H24N2O2SSi/c1-5-17-29-25(13-1)37-27-15-3-9-21-33(27)41-34-22-10-4-16-28(34)38-26-14-2-6-18-30(26)40-32-20-8-12-24-36(32)42(37,38)35-23-11-7-19-31(35)39-29/h1-24H
InChIKeyGZJPUUXMTMTOCQ-UHFFFAOYSA-N
MW576.75 g/mol
LogP8.60
Rot. Bonds

About 8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene

8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene (PubChem CID 155625091) has the molecular formula C36H24N2O2SSi and a molecular weight of 576.75 g/mol. Its IUPAC name is 8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene.

Molecular Properties

Compound Name8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene
PubChem CID155625091
Molecular FormulaC36H24N2O2SSi
Molecular Weight576.75 g/mol
Exact Mass576.13
IUPAC Name8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene
SMILESc1ccc2c(c1)Oc1ccccc1[Si]13c4ccccc4Oc4ccccc4N1c1ccccc1Sc1ccccc1N23
InChIInChI=1S/C36H24N2O2SSi/c1-5-17-29-25(13-1)37-27-15-3-9-21-33(27)41-34-22-10-4-16-28(34)38-26-14-2-6-18-30(26)40-32-20-8-12-24-36(32)42(37,38)35-23-11-7-19-31(35)39-29/h1-24H
InChIKeyGZJPUUXMTMTOCQ-UHFFFAOYSA-N
XLogP8.60
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.75
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene with MolForge

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Related Compounds

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
18,23-ditert-butyl-14,27-diaza-1-silanonacyclo[25.12.0.01,14.02,7.08,13.015,20.021,26.028,33.034,39]nonatriaconta-2,4,6,8,10,12,15(20),16,18,21(26),22,24,28,30,32,34,36,38-octadecaene;18,23-diphenyl-14,27-diaza-1-silanonacyclo[25.12.0.01,14.02,7.08,13.015,20.021,26.028,33.034,39]nonatriaconta-2,4,6,8,10,12,15(20),16,18,21(26),22,24,28,30,32,34,36,38-octadecaene;4,19,24,39-tetratert-butyl-8,35-dioxa-15,28-diaza-1-silanonacyclo[26.13.0.01,15.02,7.09,14.016,21.022,27.029,34.036,41]hentetraconta-2(7),3,5,9,11,13,16(21),17,19,22(27),23,25,29,31,33,36(41),37,39-octadecaene;8,22,36-trithia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene
CID 158206357
CID 166012477
CID 166012477
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
8-oxa-14,22-dithia-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
CID 177106396
10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine
CID 160939064
10-bromophenoxazine
CID 141423355
10-iodophenoxazine
CID 89024147
10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 140731455
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
9-spiro[benzo[b][1,4]benzothiasiline-10,10'-benzo[b][1,4]benzoxasiline]-2'-ylcarbazole
CID 147520153
10-(15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine
CID 129289415

Frequently Asked Questions

What is the IUPAC name of 8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene?
The IUPAC name of 8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene (CID 155625091) is 8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene.
What is the SMILES notation for 8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene?
The canonical SMILES for 8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene is c1ccc2c(c1)Oc1ccccc1[Si]13c4ccccc4Oc4ccccc4N1c1ccccc1Sc1ccccc1N23.
What is the InChIKey of 8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene?
The InChIKey is GZJPUUXMTMTOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O2SSi/c1-5-17-29-25(13-1)37-27-15-3-9-21-33(27)41-34-22-10-4-16-28(34)38-26-14-2-6-18-30(26)40-32-20-8-12-24-36(32)42(37,38)35-23-11-7-19-31(35)39-29/h1-24H.
What are the key properties of 8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene?
8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene has a molecular weight of 576.75 g/mol, XLogP of 8.60, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene is sourced from PubChem (CID 155625091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).