64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone

C74H56N6O4+2 — CID 44578296

About 64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone

64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone (PubChem CID 44578296) has the molecular formula C74H56N6O4+2 and a molecular weight of 1093.30 g/mol. Its IUPAC name is 64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone.

Molecular Properties

• Compound Name: 64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone
• PubChem CID: 44578296
• Molecular Formula: C74H56N6O4+2
• Molecular Weight: 1093.30 g/mol
• Exact Mass: 1092.44
• IUPAC Name: 64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone
• SMILES: CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1c[n+](c2ccccc21)Cc1ccc(cc1)C(=O)c1ccc2c(c1)c1cc(ccc1n2CC)C(=O)c1ccc(cc1)C[n+]1cn(c2ccccc21)Cc1ccc(cc1)C3=O
• InChI: InChI=1S/C74H56N6O4/c1-3-79-63-33-29-55-37-59(63)60-38-56(30-34-64(60)79)72(82)52-23-15-48(16-24-52)42-76-46-78(70-12-8-6-10-68(70)76)44-50-19-27-54(28-20-50)74(84)58-32-36-66-62(40-58)61-39-57(31-35-65(61)80(66)4-2)73(83)53-25-17-49(18-26-53)43-77-45-75(67-9-5-7-11-69(67)77)41-47-13-21-51(22-14-47)71(55)81/h5-40,45-46H,3-4,41-44H2,1-2H3/q+2
• InChIKey: JSHJZPSUYDYTJO-UHFFFAOYSA-N
• XLogP: 13.86
• TPSA: 95.76 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.30
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone?

The IUPAC name of 64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone (CID 44578296) is 64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone.

What is the SMILES notation for 64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone?

The canonical SMILES for 64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone is CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1c[n+](c2ccccc21)Cc1ccc(cc1)C(=O)c1ccc2c(c1)c1cc(ccc1n2CC)C(=O)c1ccc(cc1)C[n+]1cn(c2ccccc21)Cc1ccc(cc1)C3=O.

What is the InChIKey of 64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone?

The InChIKey is JSHJZPSUYDYTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H56N6O4/c1-3-79-63-33-29-55-37-59(63)60-38-56(30-34-64(60)79)72(82)52-23-15-48(16-24-52)42-76-46-78(70-12-8-6-10-68(70)76)44-50-19-27-54(28-20-50)74(84)58-32-36-66-62(40-58)61-39-57(31-35-65(61)80(66)4-2)73(83)53-25-17-49(18-26-53)43-77-45-75(67-9-5-7-11-69(67)77)41-47-13-21-51(22-14-47)71(55)81/h5-40,45-46H,3-4,41-44H2,1-2H3/q+2.

What are the key properties of 64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone?

64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone has a molecular weight of 1093.30 g/mol, XLogP of 13.86, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 64,72-diethyl-10,33,64,72-tetraza-3,40-diazoniapentadecacyclo[56.2.2.212,15.228,31.242,45.13,10.117,21.120,23.122,26.133,40.147,51.150,53.152,56.04,9.034,39]hexaheptaconta-1(60),3(76),4,6,8,12(75),13,15(74),17(73),18,20,22,24,26(71),28(70),29,31(69),34,36,38,40(68),42,44,47(65),48,50,52,54,56(63),58,61,66-dotriacontaene-16,27,46,57-tetrone is sourced from PubChem (CID 44578296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).