7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide

C68H36O12P4 — CID 159047296

About 7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide

7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide (PubChem CID 159047296) has the molecular formula C68H36O12P4 and a molecular weight of 1168.92 g/mol. Its IUPAC name is 7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide.

Molecular Properties

• Compound Name: 7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide
• PubChem CID: 159047296
• Molecular Formula: C68H36O12P4
• Molecular Weight: 1168.92 g/mol
• Exact Mass: 1168.12
• IUPAC Name: 7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide
• SMILES: O=P12c3ccccc3Oc3cccc(c31)Oc1c2ccc2c3c(ccc12)P1(=O)c2ccccc2Oc2cccc(c21)O3.O=P12c3ccccc3Oc3cccc(c31)Oc1ccc3c4c(ccc3c12)Oc1cccc2c1P4(=O)c1ccccc1O2
• InChI: InChI=1S/2C34H18O6P2/c35-41-29-13-3-1-7-21(29)37-23-9-5-11-25(33(23)41)39-27-17-16-20-19(31(27)41)15-18-28-32(20)42(36)30-14-4-2-8-22(30)38-24-10-6-12-26(40-28)34(24)42;35-41-27-13-3-1-7-21(27)37-23-9-5-11-25(33(23)41)39-31-19-16-18-30-32(20(19)15-17-29(31)41)40-26-12-6-10-24-34(26)42(30,36)28-14-4-2-8-22(28)38-24/h2*1-18H
• InChIKey: JWUVTELMNDWMMA-UHFFFAOYSA-N
• XLogP: 13.08
• TPSA: 142.12 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.92
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide?

The IUPAC name of 7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide (CID 159047296) is 7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide.

What is the SMILES notation for 7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide?

The canonical SMILES for 7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide is O=P12c3ccccc3Oc3cccc(c31)Oc1c2ccc2c3c(ccc12)P1(=O)c2ccccc2Oc2cccc(c21)O3.O=P12c3ccccc3Oc3cccc(c31)Oc1ccc3c4c(ccc3c12)Oc1cccc2c1P4(=O)c1ccccc1O2.

What is the InChIKey of 7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide?

The InChIKey is JWUVTELMNDWMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H18O6P2/c35-41-29-13-3-1-7-21(29)37-23-9-5-11-25(33(23)41)39-27-17-16-20-19(31(27)41)15-18-28-32(20)42(36)30-14-4-2-8-22(30)38-24-10-6-12-26(40-28)34(24)42;35-41-27-13-3-1-7-21(27)37-23-9-5-11-25(33(23)41)39-31-19-16-18-30-32(20(19)15-17-29(31)41)40-26-12-6-10-24-34(26)42(30,36)28-14-4-2-8-22(28)38-24/h2*1-18H.

What are the key properties of 7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide?

7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide has a molecular weight of 1168.92 g/mol, XLogP of 13.08, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.03,22.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3(22),4,6(21),8,10,12(40),14,16,18,23,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide;7,13,26,32-tetraoxa-1λ5,20λ5-diphosphadecacyclo[25.11.1.18,12.02,25.05,24.06,21.014,19.031,39.033,38.020,40]tetraconta-2(25),3,5(24),6(21),8,10,12(40),14,16,18,22,27,29,31(39),33,35,37-heptadecaene 1,20-dioxide is sourced from PubChem (CID 159047296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).