1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene

C36H18N3PS4 — CID 162479656

About 1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene

1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene (PubChem CID 162479656) has the molecular formula C36H18N3PS4 and a molecular weight of 651.80 g/mol. Its IUPAC name is 1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene.

Molecular Properties

• Compound Name: 1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene
• PubChem CID: 162479656
• Molecular Formula: C36H18N3PS4
• Molecular Weight: 651.80 g/mol
• Exact Mass: 651.01
• IUPAC Name: 1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene
• SMILES: S=P12c3c4ccc5c3N(c3ccccc3S5)c3ccc5c(c31)N(c1ccccc1S5)c1ccc3c(c12)N4c1ccccc1S3
• InChI: InChI=1S/C36H18N3PS4/c41-40-34-22-13-16-29-32(34)39(21-9-3-6-12-27(21)43-29)24-15-18-30-33(36(24)40)38(20-8-2-5-11-26(20)44-30)23-14-17-28-31(35(23)40)37(22)19-7-1-4-10-25(19)42-28/h1-18H
• InChIKey: CMXZDXUMSLLSJQ-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 9.72 Ų
• H-Bond Acceptors: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.80
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene?

The IUPAC name of 1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene (CID 162479656) is 1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene.

What is the SMILES notation for 1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene?

The canonical SMILES for 1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene is S=P12c3c4ccc5c3N(c3ccccc3S5)c3ccc5c(c31)N(c1ccccc1S5)c1ccc3c(c12)N4c1ccccc1S3.

What is the InChIKey of 1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene?

The InChIKey is CMXZDXUMSLLSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H18N3PS4/c41-40-34-22-13-16-29-32(34)39(21-9-3-6-12-27(21)43-29)24-15-18-30-33(36(24)40)38(20-8-2-5-11-26(20)44-30)23-14-17-28-31(35(23)40)37(22)19-7-1-4-10-25(19)42-28/h1-18H.

What are the key properties of 1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene?

1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene has a molecular weight of 651.80 g/mol, XLogP of 10.19, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-sulfanylidene-11,23,35-trithia-4,16,28-triaza-1λ5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2(15),3(12),5,7,9,13,17,19,21,24(42),25,27(41),29,31,33,36(43),37,39-octadecaene is sourced from PubChem (CID 162479656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).