32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene

C75H42N8O — CID 154992179

About 32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene

32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene (PubChem CID 154992179) has the molecular formula C75H42N8O and a molecular weight of 1071.22 g/mol. Its IUPAC name is 32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene.

Molecular Properties

• Compound Name: 32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene
• PubChem CID: 154992179
• Molecular Formula: C75H42N8O
• Molecular Weight: 1071.22 g/mol
• Exact Mass: 1070.35
• IUPAC Name: 32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene
• SMILES: c1ccc(-n2c3cc4oc5ccccc5c4cc3c3cc4c5ccc(-c6cccc7c8cc9c%10c(ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11%10)n(-c%10ccccc%10)c9cc8c8nccn8c67)nc5n5c6ccccc6nc5c4cc32)cc1
• InChI: InChI=1S/C75H42N8O/c1-4-17-43(18-5-1)80-64-34-32-49-46-23-10-13-28-62(46)82(45-21-8-3-9-22-45)72(49)70(64)59-38-52-48-25-16-26-51(71(48)79-36-35-76-73(79)57(52)40-66(59)80)60-33-31-50-53-37-54-55-39-56-47-24-11-15-30-68(47)84-69(56)42-67(55)81(44-19-6-2-7-20-44)65(54)41-58(53)75-78-61-27-12-14-29-63(61)83(75)74(50)77-60/h1-42H
• InChIKey: GGICOSDBQUBUKC-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 75.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.22
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene?

The IUPAC name of 32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene (CID 154992179) is 32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene.

What is the SMILES notation for 32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene?

The canonical SMILES for 32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene is c1ccc(-n2c3cc4oc5ccccc5c4cc3c3cc4c5ccc(-c6cccc7c8cc9c%10c(ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11%10)n(-c%10ccccc%10)c9cc8c8nccn8c67)nc5n5c6ccccc6nc5c4cc32)cc1.

What is the InChIKey of 32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene?

The InChIKey is GGICOSDBQUBUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H42N8O/c1-4-17-43(18-5-1)80-64-34-32-49-46-23-10-13-28-62(46)82(45-21-8-3-9-22-45)72(49)70(64)59-38-52-48-25-16-26-51(71(48)79-36-35-76-73(79)57(52)40-66(59)80)60-33-31-50-53-37-54-55-39-56-47-24-11-15-30-68(47)84-69(56)42-67(55)81(44-19-6-2-7-20-44)65(54)41-58(53)75-78-61-27-12-14-29-63(61)83(75)74(50)77-60/h1-42H.

What are the key properties of 32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene?

32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene has a molecular weight of 1071.22 g/mol, XLogP of 19.00, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 32-(20,31-diphenyl-5,8,20,31-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.019,27.021,26]hentriaconta-1(17),2,4,6,9(14),10,12,15,18(30),19(27),21,23,25,28-tetradecaen-10-yl)-17-phenyl-13-oxa-17,22,29,31-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,7,9,11,14,19,21,23,25,27,30(35),31,33-hexadecaene is sourced from PubChem (CID 154992179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).