8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide

C122H71O15P5 — CID 160743650

About 8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide

8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide (PubChem CID 160743650) has the molecular formula C122H71O15P5 and a molecular weight of 1931.76 g/mol. Its IUPAC name is 8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide.

Molecular Properties

• Compound Name: 8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide
• PubChem CID: 160743650
• Molecular Formula: C122H71O15P5
• Molecular Weight: 1931.76 g/mol
• Exact Mass: 1930.35
• IUPAC Name: 8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide
• SMILES: O=P12c3cc4ccccc4cc3Oc3cccc(c31)Oc1ccc3ccccc3c12.O=P12c3ccccc3Oc3c1c(cc1ccccc31)Oc1c2ccc2ccccc12.O=P12c3ccccc3Oc3cc4ccccc4c(c31)Oc1c2ccc2ccccc12.O=P12c3ccccc3Oc3cc4ccccc4c(c31)Oc1ccccc12.O=P12c3ccccc3Oc3cccc(c31)Oc1c2ccc2ccccc12
• InChI: InChI=1S/3C26H15O3P.2C22H13O3P/c27-30-22-12-6-5-11-20(22)28-25-19-10-4-2-8-17(19)15-21(26(25)30)29-24-18-9-3-1-7-16(18)13-14-23(24)30;27-30-22-12-6-5-11-20(22)28-21-15-17-8-2-4-10-19(17)25(26(21)30)29-24-18-9-3-1-7-16(18)13-14-23(24)30;27-30-24-15-18-8-2-1-7-17(18)14-23(24)29-21-11-5-10-20(26(21)30)28-22-13-12-16-6-3-4-9-19(16)25(22)30;23-26-19-11-5-3-9-16(19)24-18-13-14-7-1-2-8-15(14)21(22(18)26)25-17-10-4-6-12-20(17)26;23-26-19-11-4-3-8-16(19)24-17-9-5-10-18(22(17)26)25-21-15-7-2-1-6-14(15)12-13-20(21)26/h3*1-15H;2*1-13H
• InChIKey: RVXJNOTVXSNXOF-UHFFFAOYSA-N
• XLogP: 26.91
• TPSA: 177.65 Ų
• H-Bond Acceptors: 15
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1931.76
LogP ≤ 5	26.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide?

The IUPAC name of 8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide (CID 160743650) is 8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide.

What is the SMILES notation for 8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide?

The canonical SMILES for 8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide is O=P12c3cc4ccccc4cc3Oc3cccc(c31)Oc1ccc3ccccc3c12.O=P12c3ccccc3Oc3c1c(cc1ccccc31)Oc1c2ccc2ccccc12.O=P12c3ccccc3Oc3cc4ccccc4c(c31)Oc1c2ccc2ccccc12.O=P12c3ccccc3Oc3cc4ccccc4c(c31)Oc1ccccc12.O=P12c3ccccc3Oc3cccc(c31)Oc1c2ccc2ccccc12.

What is the InChIKey of 8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide?

The InChIKey is RVXJNOTVXSNXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H15O3P.2C22H13O3P/c27-30-22-12-6-5-11-20(22)28-25-19-10-4-2-8-17(19)15-21(26(25)30)29-24-18-9-3-1-7-16(18)13-14-23(24)30;27-30-22-12-6-5-11-20(22)28-21-15-17-8-2-4-10-19(17)25(26(21)30)29-24-18-9-3-1-7-16(18)13-14-23(24)30;27-30-24-15-18-8-2-1-7-17(18)14-23(24)29-21-11-5-10-20(26(21)30)28-22-13-12-16-6-3-4-9-19(16)25(22)30;23-26-19-11-5-3-9-16(19)24-18-13-14-7-1-2-8-15(14)21(22(18)26)25-17-10-4-6-12-20(17)26;23-26-19-11-4-3-8-16(19)24-17-9-5-10-18(22(17)26)25-21-15-7-2-1-6-14(15)12-13-20(21)26/h3*1-15H;2*1-13H.

What are the key properties of 8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide?

8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide has a molecular weight of 1931.76 g/mol, XLogP of 26.91, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,7.09,29.010,15.019,28.020,25]nonacosa-2,4,6,9(29),10,12,14,16,19(28),20,22,24,26-tridecaene 1-oxide;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-oxide;12,18-dioxa-1λ5-phosphaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.021,26]nonacosa-2(11),3,5,7,9,13(29),14,16,19,21,23,25,27-tridecaene 1-oxide;8,18-dioxa-1λ5-phosphahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene 1-oxide;12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene 1-oxide is sourced from PubChem (CID 160743650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).