26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene

C169H125N19O4+8 — CID 157407033

About 26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene

26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene (PubChem CID 157407033) has the molecular formula C169H125N19O4+8 and a molecular weight of 2485.99 g/mol. Its IUPAC name is 26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene.

Molecular Properties

• Compound Name: 26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene
• PubChem CID: 157407033
• Molecular Formula: C169H125N19O4+8
• Molecular Weight: 2485.99 g/mol
• Exact Mass: 2484.01
• IUPAC Name: 26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene
• SMILES: CC(C)(C)c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(cccc2-n2cc(-c3ccc(-c5ccccc5)cc3)c[n+]21)O4.CC(C)(C)c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(cccc2-n2cc(-c3ccc(-c5ccccc5)cn3)c[n+]21)O4.CC(C)(C)c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(cccc2-n2cc(-c3ccc(-c5ccccc5)cn3)c[n+]21)O4.CC(C)(C)c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(cccc2-n2cc(-c3ccc(-c5ccccn5)cc3)c[n+]21)O4
• InChI: InChI=1S/C43H32N4O.3C42H31N5O/c1-42(2,3)31-22-23-44-38(24-31)47-34-13-8-7-12-32(34)33-20-21-37-40(41(33)47)43(44)39-35(14-9-15-36(39)48-37)45-25-30(26-46(43)45)29-18-16-28(17-19-29)27-10-5-4-6-11-27;1-41(2,3)29-20-22-44-37(23-29)47-33-11-5-4-9-30(33)31-18-19-36-39(40(31)47)42(44)38-34(12-8-13-35(38)48-36)45-24-28(25-46(42)45)26-14-16-27(17-15-26)32-10-6-7-21-43-32;2*1-41(2,3)29-20-21-44-37(22-29)47-33-13-8-7-12-30(33)31-17-19-36-39(40(31)47)42(44)38-34(14-9-15-35(38)48-36)45-24-28(25-46(42)45)32-18-16-27(23-43-32)26-10-5-4-6-11-26/h4-26H,1-3H3;3*4-25H,1-3H3/q4*+2
• InChIKey: UWVIJRGMUSWZBE-UHFFFAOYSA-N
• XLogP: 33.43
• TPSA: 146.07 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2485.99
LogP ≤ 5	33.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene?

The IUPAC name of 26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene (CID 157407033) is 26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene.

What is the SMILES notation for 26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene?

The canonical SMILES for 26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene is CC(C)(C)c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(cccc2-n2cc(-c3ccc(-c5ccccc5)cc3)c[n+]21)O4.CC(C)(C)c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(cccc2-n2cc(-c3ccc(-c5ccccc5)cn3)c[n+]21)O4.CC(C)(C)c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(cccc2-n2cc(-c3ccc(-c5ccccc5)cn3)c[n+]21)O4.CC(C)(C)c1cc[n+]2c(c1)-n1c3ccccc3c3ccc4c(c31)C21c2c(cccc2-n2cc(-c3ccc(-c5ccccn5)cc3)c[n+]21)O4.

What is the InChIKey of 26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene?

The InChIKey is UWVIJRGMUSWZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4O.3C42H31N5O/c1-42(2,3)31-22-23-44-38(24-31)47-34-13-8-7-12-32(34)33-20-21-37-40(41(33)47)43(44)39-35(14-9-15-36(39)48-37)45-25-30(26-46(43)45)29-18-16-28(17-19-29)27-10-5-4-6-11-27;1-41(2,3)29-20-22-44-37(23-29)47-33-11-5-4-9-30(33)31-18-19-36-39(40(31)47)42(44)38-34(12-8-13-35(38)48-36)45-24-28(25-46(42)45)26-14-16-27(17-15-26)32-10-6-7-21-43-32;2*1-41(2,3)29-20-21-44-37(22-29)47-33-13-8-7-12-30(33)31-17-19-36-39(40(31)47)42(44)38-34(14-9-15-35(38)48-36)45-24-28(25-46(42)45)32-18-16-27(23-43-32)26-10-5-4-6-11-26/h4-26H,1-3H3;3*4-25H,1-3H3/q4*+2.

What are the key properties of 26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene?

26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene has a molecular weight of 2485.99 g/mol, XLogP of 33.43, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 26-tert-butyl-4-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene;bis(26-tert-butyl-4-(5-phenyl-2-pyridinyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene);26-tert-butyl-4-(4-pyridin-2-ylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24(29),25,27-tetradecaene is sourced from PubChem (CID 157407033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).