12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene

C156H96N12P4S4 — CID 159443846

About 12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene

12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene (PubChem CID 159443846) has the molecular formula C156H96N12P4S4 and a molecular weight of 2390.73 g/mol. Its IUPAC name is 12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene.

Molecular Properties

• Compound Name: 12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene
• PubChem CID: 159443846
• Molecular Formula: C156H96N12P4S4
• Molecular Weight: 2390.73 g/mol
• Exact Mass: 2388.57
• IUPAC Name: 12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene
• SMILES: S=P12c3c4cccc3N(c3ccccc3)c3c1c(cc1cc5c6c(c31)N(c1ccccc1)c1cccc3c1P6(=S)c1c(cc6ccccc6c1N5c1ccccc1)N3c1ccccc1)N(c1ccccc1)c1c2c(cc2ccccc12)N4c1ccccc1.S=P12c3c4cccc3N(c3ccccc3)c3c1c(cc1ccccc31)N(c1ccccc1)c1c2c(cc2cc3c5c(c12)N(c1ccccc1)c1cc2ccccc2c2c1P5(=S)c1c(cccc1N2c1ccccc1)N3c1ccccc1)N4c1ccccc1
• InChI: InChI=1S/2C78H48N6P2S2/c87-85-73-60-41-23-43-62(73)81(54-31-11-3-12-32-54)69-58-39-21-19-25-49(58)45-66(75(69)85)83(56-35-15-5-16-36-56)71-68-51(47-64(77(71)85)79(60)52-27-7-1-8-28-52)48-65-78-72(68)84(57-37-17-6-18-38-57)67-46-50-26-20-22-40-59(50)70-76(67)86(78,88)74-61(80(65)53-29-9-2-10-30-53)42-24-44-63(74)82(70)55-33-13-4-14-34-55;87-85-73-60-41-23-43-62(73)81(54-31-11-3-12-32-54)71-68-51(47-66(77(71)85)83(56-35-15-5-16-36-56)69-58-39-21-19-25-49(58)45-64(75(69)85)79(60)52-27-7-1-8-28-52)48-67-78-72(68)82(55-33-13-4-14-34-55)63-44-24-42-61-74(63)86(78,88)76-65(80(61)53-29-9-2-10-30-53)46-50-26-20-22-40-59(50)70(76)84(67)57-37-17-6-18-38-57/h2*1-48H
• InChIKey: LSMXKKAVDVYXAW-UHFFFAOYSA-N
• XLogP: 38.71
• TPSA: 38.88 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2390.73
LogP ≤ 5	38.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene?

The IUPAC name of 12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene (CID 159443846) is 12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene.

What is the SMILES notation for 12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene?

The canonical SMILES for 12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene is S=P12c3c4cccc3N(c3ccccc3)c3c1c(cc1cc5c6c(c31)N(c1ccccc1)c1cccc3c1P6(=S)c1c(cc6ccccc6c1N5c1ccccc1)N3c1ccccc1)N(c1ccccc1)c1c2c(cc2ccccc12)N4c1ccccc1.S=P12c3c4cccc3N(c3ccccc3)c3c1c(cc1ccccc31)N(c1ccccc1)c1c2c(cc2cc3c5c(c12)N(c1ccccc1)c1cc2ccccc2c2c1P5(=S)c1c(cccc1N2c1ccccc1)N3c1ccccc1)N4c1ccccc1.

What is the InChIKey of 12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene?

The InChIKey is LSMXKKAVDVYXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C78H48N6P2S2/c87-85-73-60-41-23-43-62(73)81(54-31-11-3-12-32-54)69-58-39-21-19-25-49(58)45-66(75(69)85)83(56-35-15-5-16-36-56)71-68-51(47-64(77(71)85)79(60)52-27-7-1-8-28-52)48-65-78-72(68)84(57-37-17-6-18-38-57)67-46-50-26-20-22-40-59(50)70-76(67)86(78,88)74-61(80(65)53-29-9-2-10-30-53)42-24-44-63(74)82(70)55-33-13-4-14-34-55;87-85-73-60-41-23-43-62(73)81(54-31-11-3-12-32-54)71-68-51(47-66(77(71)85)83(56-35-15-5-16-36-56)69-58-39-21-19-25-49(58)45-64(75(69)85)79(60)52-27-7-1-8-28-52)48-67-78-72(68)82(55-33-13-4-14-34-55)63-44-24-42-61-74(63)86(78,88)76-65(80(61)53-29-9-2-10-30-53)46-50-26-20-22-40-59(50)70(76)84(67)57-37-17-6-18-38-57/h2*1-48H.

What are the key properties of 12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene?

12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene has a molecular weight of 2390.73 g/mol, XLogP of 38.71, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 12,22,28,46,48,50-hexakis-phenyl-5,39-bis(sulfanylidene)-12,22,28,46,48,50-hexaza-5λ5,39λ5-diphosphatetradecacyclo[25.19.1.13,7.15,13.137,41.02,25.04,23.06,11.015,20.029,38.030,35.039,47.040,45.021,49]pentaconta-1(47),2,4(23),6(11),7,9,13,15,17,19,21(49),24,26,29(38),30,32,34,36,40,42,44-henicosaene;16,22,28,46,48,50-hexakis-phenyl-5,35-bis(sulfanylidene)-16,22,28,46,48,50-hexaza-5λ5,35λ5-diphosphatetradecacyclo[25.19.1.13,7.15,17.133,37.02,25.04,23.06,15.09,14.029,34.035,47.036,45.038,43.021,49]pentaconta-1(47),2,4(23),6(15),7,9,11,13,17,19,21(49),24,26,29(34),30,32,36,38,40,42,44-henicosaene is sourced from PubChem (CID 159443846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).