12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene

C38H23N2OPS — CID 134317390

About 12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene

12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene (PubChem CID 134317390) has the molecular formula C38H23N2OPS and a molecular weight of 586.66 g/mol. Its IUPAC name is 12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene.

Molecular Properties

• Compound Name: 12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene
• PubChem CID: 134317390
• Molecular Formula: C38H23N2OPS
• Molecular Weight: 586.66 g/mol
• Exact Mass: 586.13
• IUPAC Name: 12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene
• SMILES: S=P12c3c4cccc3N(c3ccccc3)c3c1c(cc1ccccc31)Oc1cc3ccccc3c(c12)N4c1ccccc1
• InChI: InChI=1S/C38H23N2OPS/c43-42-36-30-20-11-21-31(36)40(27-16-5-2-6-17-27)35-29-19-10-8-13-25(29)23-33(38(35)42)41-32-22-24-12-7-9-18-28(24)34(37(32)42)39(30)26-14-3-1-4-15-26/h1-23H
• InChIKey: PYWQDJAHZUUVJX-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 15.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.66
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene?

The IUPAC name of 12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene (CID 134317390) is 12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene.

What is the SMILES notation for 12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene?

The canonical SMILES for 12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene is S=P12c3c4cccc3N(c3ccccc3)c3c1c(cc1ccccc31)Oc1cc3ccccc3c(c12)N4c1ccccc1.

What is the InChIKey of 12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene?

The InChIKey is PYWQDJAHZUUVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N2OPS/c43-42-36-30-20-11-21-31(36)40(27-16-5-2-6-17-27)35-29-19-10-8-13-25(29)23-33(38(35)42)41-32-22-24-12-7-9-18-28(24)34(37(32)42)39(30)26-14-3-1-4-15-26/h1-23H.

What are the key properties of 12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene?

12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene has a molecular weight of 586.66 g/mol, XLogP of 9.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12,18-diphenyl-1-sulfanylidene-30-oxa-12,18-diaza-1λ5-phosphaoctacyclo[15.11.1.13,27.02,11.05,10.013,29.019,28.020,25]triaconta-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene is sourced from PubChem (CID 134317390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).