8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene

C182H184N12P4S4 — CID 158340532

About 8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene

8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene (PubChem CID 158340532) has the molecular formula C182H184N12P4S4 and a molecular weight of 2791.72 g/mol. Its IUPAC name is 8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene.

Molecular Properties

• Compound Name: 8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene
• PubChem CID: 158340532
• Molecular Formula: C182H184N12P4S4
• Molecular Weight: 2791.72 g/mol
• Exact Mass: 2789.26
• IUPAC Name: 8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene
• SMILES: CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)cc4c3P3(=S)c5c2cc(C(C)(C)C)cc5N(c2ccc(C(C)(C)C)cc2)c2c5c6c(c(c23)N4c2ccc(C(C)(C)C)cc2)N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc3c2P6(=S)c2c(cc(C(C)(C)C)cc2N5c2ccc(C(C)(C)C)cc2)N3c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(N2c3cc(C)cc4c3P3(=S)c5c2cc(C)cc5N(c2ccc(C)cc2)c2c5c6c(c(c23)N4c2ccc(C)cc2)N(c2ccc(C)cc2)c2cc(C)cc3c2P6(=S)c2c(cc(C)cc2N5c2ccc(C)cc2)N3c2ccc(C)cc2)cc1
• InChI: InChI=1S/C106H122N6P2S2.C76H62N6P2S2/c1-97(2,3)63-31-43-73(44-32-63)107-79-55-69(103(19,20)21)59-83-91(79)113(115)92-80(107)56-70(104(22,23)24)60-84(92)110(76-49-37-66(38-50-76)100(10,11)12)88-90-96-89(87(95(88)113)109(83)75-47-35-65(36-48-75)99(7,8)9)111(77-51-39-67(40-52-77)101(13,14)15)85-61-71(105(25,26)27)57-81-93(85)114(96,116)94-82(108(81)74-45-33-64(34-46-74)98(4,5)6)58-72(106(28,29)30)62-86(94)112(90)78-53-41-68(42-54-78)102(16,17)18;1-43-11-23-53(24-12-43)77-59-35-49(7)39-63-71(59)83(85)72-60(77)36-50(8)40-64(72)80(56-29-17-46(4)18-30-56)68-70-76-69(67(75(68)83)79(63)55-27-15-45(3)16-28-55)81(57-31-19-47(5)20-32-57)65-41-51(9)37-61-73(65)84(76,86)74-62(78(61)54-25-13-44(2)14-26-54)38-52(10)42-66(74)82(70)58-33-21-48(6)22-34-58/h31-62H,1-30H3;11-42H,1-10H3
• InChIKey: GRCLBEALLCVCQZ-UHFFFAOYSA-N
• XLogP: 47.85
• TPSA: 38.88 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2791.72
LogP ≤ 5	47.85
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 8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene?

The IUPAC name of 8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene (CID 158340532) is 8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene.

What is the SMILES notation for 8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene?

The canonical SMILES for 8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene is CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)cc4c3P3(=S)c5c2cc(C(C)(C)C)cc5N(c2ccc(C(C)(C)C)cc2)c2c5c6c(c(c23)N4c2ccc(C(C)(C)C)cc2)N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc3c2P6(=S)c2c(cc(C(C)(C)C)cc2N5c2ccc(C(C)(C)C)cc2)N3c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(N2c3cc(C)cc4c3P3(=S)c5c2cc(C)cc5N(c2ccc(C)cc2)c2c5c6c(c(c23)N4c2ccc(C)cc2)N(c2ccc(C)cc2)c2cc(C)cc3c2P6(=S)c2c(cc(C)cc2N5c2ccc(C)cc2)N3c2ccc(C)cc2)cc1.

What is the InChIKey of 8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene?

The InChIKey is GRCLBEALLCVCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H122N6P2S2.C76H62N6P2S2/c1-97(2,3)63-31-43-73(44-32-63)107-79-55-69(103(19,20)21)59-83-91(79)113(115)92-80(107)56-70(104(22,23)24)60-84(92)110(76-49-37-66(38-50-76)100(10,11)12)88-90-96-89(87(95(88)113)109(83)75-47-35-65(36-48-75)99(7,8)9)111(77-51-39-67(40-52-77)101(13,14)15)85-61-71(105(25,26)27)57-81-93(85)114(96,116)94-82(108(81)74-45-33-64(34-46-74)98(4,5)6)58-72(106(28,29)30)62-86(94)112(90)78-53-41-68(42-54-78)102(16,17)18;1-43-11-23-53(24-12-43)77-59-35-49(7)39-63-71(59)83(85)72-60(77)36-50(8)40-64(72)80(56-29-17-46(4)18-30-56)68-70-76-69(67(75(68)83)79(63)55-27-15-45(3)16-28-55)81(57-31-19-47(5)20-32-57)65-41-51(9)37-61-73(65)84(76,86)74-62(78(61)54-25-13-44(2)14-26-54)38-52(10)42-66(74)82(70)58-33-21-48(6)22-34-58/h31-62H,1-30H3;11-42H,1-10H3.

What are the key properties of 8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene?

8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene has a molecular weight of 2791.72 g/mol, XLogP of 47.85, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene is sourced from PubChem (CID 158340532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).