butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+)

C76H68N2OOs — CID 58890462

About butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+)

butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+) (PubChem CID 58890462) has the molecular formula C76H68N2OOs and a molecular weight of 1215.62 g/mol. Its IUPAC name is butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+).

Molecular Properties

• Compound Name: butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+)
• PubChem CID: 58890462
• Molecular Formula: C76H68N2OOs
• Molecular Weight: 1215.62 g/mol
• Exact Mass: 1216.49
• IUPAC Name: butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+)
• SMILES: CCC(C)Oc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7cc[c-]cc7)c7ccc(C(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.[CH2-]CCC.[Os+2]
• InChI: InChI=1S/C72H59N2O.C4H9.Os/c1-7-47(6)75-56-39-37-55(38-40-56)74(54-35-31-49(32-36-54)46(4)5)64-44-42-62-68-58(64)26-18-28-60(68)70-65(50-19-11-8-12-20-50)69-59-27-17-25-57-63(73(52-23-15-10-16-24-52)53-33-29-48(30-34-53)45(2)3)43-41-61(67(57)59)71(69)66(72(62)70)51-21-13-9-14-22-51;1-3-4-2;/h8-9,11-47H,7H2,1-6H3;1,3-4H2,2H3;/q2*-1;+2
• InChIKey: TXFMOIIXSVFPQA-UHFFFAOYSA-N
• XLogP: 22.60
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1215.62
LogP ≤ 5	22.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+)?

The IUPAC name of butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+) (CID 58890462) is butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+).

What is the SMILES notation for butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+)?

The canonical SMILES for butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+) is CCC(C)Oc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7cc[c-]cc7)c7ccc(C(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.[CH2-]CCC.[Os+2].

What is the InChIKey of butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+)?

The InChIKey is TXFMOIIXSVFPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H59N2O.C4H9.Os/c1-7-47(6)75-56-39-37-55(38-40-56)74(54-35-31-49(32-36-54)46(4)5)64-44-42-62-68-58(64)26-18-28-60(68)70-65(50-19-11-8-12-20-50)69-59-27-17-25-57-63(73(52-23-15-10-16-24-52)53-33-29-48(30-34-53)45(2)3)43-41-61(67(57)59)71(69)66(72(62)70)51-21-13-9-14-22-51;1-3-4-2;/h8-9,11-47H,7H2,1-6H3;1,3-4H2,2H3;/q2*-1;+2.

What are the key properties of butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+)?

butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+) has a molecular weight of 1215.62 g/mol, XLogP of 22.60, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;osmium(2+) is sourced from PubChem (CID 58890462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).