15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide

C76H50N4O4P2 — CID 134317770

About 15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide

15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide (PubChem CID 134317770) has the molecular formula C76H50N4O4P2 and a molecular weight of 1145.21 g/mol. Its IUPAC name is 15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide.

Molecular Properties

• Compound Name: 15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide
• PubChem CID: 134317770
• Molecular Formula: C76H50N4O4P2
• Molecular Weight: 1145.21 g/mol
• Exact Mass: 1144.33
• IUPAC Name: 15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide
• SMILES: CC1(C)c2ccccc2-c2cc3c4c(c21)N(c1ccccc1)c1cccc2c1P4(=O)c1c(cc4cc5c6c(c4c1N2c1ccccc1)Oc1cccc2c1P6(=O)c1c(cc4c(c1N2c1ccccc1)C(C)(C)c1ccccc1-4)N5c1ccccc1)O3
• InChI: InChI=1S/C76H50N4O4P2/c1-75(2)52-33-19-17-31-48(52)50-41-58-71-66(63(50)75)80(47-29-15-8-16-30-47)56-37-22-38-59-70(56)86(71,82)72-57(77(58)44-23-9-5-10-24-44)39-43-40-60-73-65(62(43)68(72)84-59)78(45-25-11-6-12-26-45)54-35-21-36-55-69(54)85(73,81)74-61(83-60)42-51-49-32-18-20-34-53(49)76(3,4)64(51)67(74)79(55)46-27-13-7-14-28-46/h5-42H,1-4H3
• InChIKey: VKBGJYLIABMDAO-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 65.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.21
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide?

The IUPAC name of 15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide (CID 134317770) is 15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide.

What is the SMILES notation for 15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide?

The canonical SMILES for 15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide is CC1(C)c2ccccc2-c2cc3c4c(c21)N(c1ccccc1)c1cccc2c1P4(=O)c1c(cc4cc5c6c(c4c1N2c1ccccc1)Oc1cccc2c1P6(=O)c1c(cc4c(c1N2c1ccccc1)C(C)(C)c1ccccc1-4)N5c1ccccc1)O3.

What is the InChIKey of 15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide?

The InChIKey is VKBGJYLIABMDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N4O4P2/c1-75(2)52-33-19-17-31-48(52)50-41-58-71-66(63(50)75)80(47-29-15-8-16-30-47)56-37-22-38-59-70(56)86(71,82)72-57(77(58)44-23-9-5-10-24-44)39-43-40-60-73-65(62(43)68(72)84-59)78(45-25-11-6-12-26-45)54-35-21-36-55-69(54)85(73,81)74-61(83-60)42-51-49-32-18-20-34-53(49)76(3,4)64(51)67(74)79(55)46-27-13-7-14-28-46/h5-42H,1-4H3.

What are the key properties of 15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide?

15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide has a molecular weight of 1145.21 g/mol, XLogP of 18.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 15,15,41,41-tetramethyl-12,31,54,56-tetraphenyl-25,52-dioxa-12,31,54,56-tetraza-5λ5,45λ5-diphosphahexadecacyclo[28.22.1.13,7.15,13.143,47.02,28.04,26.06,11.014,22.016,21.032,44.034,42.035,40.045,53.046,51.024,55]hexapentaconta-1,3,6,8,10,13,16,18,20,22,24(55),26,28,30(53),32(44),33,35,37,39,42,46,48,50-tricosaene 5,45-dioxide is sourced from PubChem (CID 134317770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).