17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene

C26H15O2PS — CID 118220194

About 17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene

17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene (PubChem CID 118220194) has the molecular formula C26H15O2PS and a molecular weight of 422.45 g/mol. Its IUPAC name is 17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene.

Molecular Properties

• Compound Name: 17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
• PubChem CID: 118220194
• Molecular Formula: C26H15O2PS
• Molecular Weight: 422.45 g/mol
• Exact Mass: 422.05
• IUPAC Name: 17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
• SMILES: S=P12c3ccccc3Oc3cc4ccccc4c(c31)Oc1c2ccc2ccccc12
• InChI: InChI=1S/C26H15O2PS/c30-29-22-12-6-5-11-20(22)27-21-15-17-8-2-4-10-19(17)25(26(21)29)28-24-18-9-3-1-7-16(18)13-14-23(24)29/h1-15H
• InChIKey: JCFFRGXSPPPKLM-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 18.46 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.45
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene?

The IUPAC name of 17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene (CID 118220194) is 17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene.

What is the SMILES notation for 17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene?

The canonical SMILES for 17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene is S=P12c3ccccc3Oc3cc4ccccc4c(c31)Oc1c2ccc2ccccc12.

What is the InChIKey of 17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene?

The InChIKey is JCFFRGXSPPPKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15O2PS/c30-29-22-12-6-5-11-20(22)27-21-15-17-8-2-4-10-19(17)25(26(21)29)28-24-18-9-3-1-7-16(18)13-14-23(24)29/h1-15H.

What are the key properties of 17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene?

17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene has a molecular weight of 422.45 g/mol, XLogP of 5.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17-sulfanylidene-10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene is sourced from PubChem (CID 118220194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).