(15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide

C67H66O12P4 — CID 139256890

About (15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide

(15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide (PubChem CID 139256890) has the molecular formula C67H66O12P4 and a molecular weight of 1187.15 g/mol. Its IUPAC name is (15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide.

Molecular Properties

• Compound Name: (15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide
• PubChem CID: 139256890
• Molecular Formula: C67H66O12P4
• Molecular Weight: 1187.15 g/mol
• Exact Mass: 1186.35
• IUPAC Name: (15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide
• SMILES: CCCC1c2cc3c4cc2OP(=O)(c2ccccc2)Oc2c1cc1c(c2C)OP(=O)(c2ccccc2)Oc2c(cc5c(c2C)O[P@@](=O)(c2ccccc2)Oc2c(cc(c(c2C)OP(=O)(c2ccccc2)O4)C3CCC)C5CCC)C1CCC
• InChI: InChI=1S/C67H66O12P4/c1-8-24-48-52-36-53-49(25-9-2)55-38-57-51(27-11-4)59-39-58-50(26-10-3)56-37-54(48)62-41(5)64(56)76-82(70,46-32-20-14-21-33-46)78-66(58)43(7)67(59)79-83(71,47-34-22-15-23-35-47)77-65(57)42(6)63(55)75-81(69,45-30-18-13-19-31-45)73-61(53)40-60(52)72-80(68,74-62)44-28-16-12-17-29-44/h12-23,28-40,48-51H,8-11,24-27H2,1-7H3/t48?,49?,50?,51?,80?,81?,82-,83?/m1/s1
• InChIKey: LXMNZDMXRGIDJY-XNWMHTPJSA-N
• XLogP: 17.81
• TPSA: 142.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1187.15
LogP ≤ 5	17.81
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 (15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide?

The IUPAC name of (15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide (CID 139256890) is (15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide.

What is the SMILES notation for (15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide?

The canonical SMILES for (15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide is CCCC1c2cc3c4cc2OP(=O)(c2ccccc2)Oc2c1cc1c(c2C)OP(=O)(c2ccccc2)Oc2c(cc5c(c2C)O[P@@](=O)(c2ccccc2)Oc2c(cc(c(c2C)OP(=O)(c2ccccc2)O4)C3CCC)C5CCC)C1CCC.

What is the InChIKey of (15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide?

The InChIKey is LXMNZDMXRGIDJY-XNWMHTPJSA-N. The full InChI is InChI=1S/C67H66O12P4/c1-8-24-48-52-36-53-49(25-9-2)55-38-57-51(27-11-4)59-39-58-50(26-10-3)56-37-54(48)62-41(5)64(56)76-82(70,46-32-20-14-21-33-46)78-66(58)43(7)67(59)79-83(71,47-34-22-15-23-35-47)77-65(57)42(6)63(55)75-81(69,45-30-18-13-19-31-45)73-61(53)40-60(52)72-80(68,74-62)44-28-16-12-17-29-44/h12-23,28-40,48-51H,8-11,24-27H2,1-7H3/t48?,49?,50?,51?,80?,81?,82-,83?/m1/s1.

What are the key properties of (15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide?

(15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide has a molecular weight of 1187.15 g/mol, XLogP of 17.81, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (15R)-6,12,18-trimethyl-3,9,15,21-tetraphenyl-25,29,33,37-tetrapropyl-2,4,8,10,14,16,20,22-octaoxa-3λ5,9λ5,15λ5,21λ5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide is sourced from PubChem (CID 139256890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).