19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine

C59H58N2 — CID 130183972

About 19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine

19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine (PubChem CID 130183972) has the molecular formula C59H58N2 and a molecular weight of 795.13 g/mol. Its IUPAC name is 19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine.

Molecular Properties

• Compound Name: 19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
• PubChem CID: 130183972
• Molecular Formula: C59H58N2
• Molecular Weight: 795.13 g/mol
• Exact Mass: 794.46
• IUPAC Name: 19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
• SMILES: CCCCCCCc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(C)C)-c2ccc(N(c3ccccc3)C3C=CC=CC3)cc2C4(C)C)cc1
• InChI: InChI=1S/C59H58N2/c1-6-7-8-9-13-22-41-31-33-45(34-32-41)61(44-27-18-12-19-28-44)56-40-55-57(49-30-21-20-29-48(49)56)51-39-53-50(38-54(51)59(55,4)5)47-36-35-46(37-52(47)58(53,2)3)60(42-23-14-10-15-24-42)43-25-16-11-17-26-43/h10-12,14-21,23-25,27-40,43H,6-9,13,22,26H2,1-5H3
• InChIKey: WVLFNMYJPAYDJH-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.13
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?

The IUPAC name of 19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine (CID 130183972) is 19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine.

What is the SMILES notation for 19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?

The canonical SMILES for 19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine is CCCCCCCc1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(C)C)-c2ccc(N(c3ccccc3)C3C=CC=CC3)cc2C4(C)C)cc1.

What is the InChIKey of 19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?

The InChIKey is WVLFNMYJPAYDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H58N2/c1-6-7-8-9-13-22-41-31-33-45(34-32-41)61(44-27-18-12-19-28-44)56-40-55-57(49-30-21-20-29-48(49)56)51-39-53-50(38-54(51)59(55,4)5)47-36-35-46(37-52(47)58(53,2)3)60(42-23-14-10-15-24-42)43-25-16-11-17-26-43/h10-12,14-21,23-25,27-40,43H,6-9,13,22,26H2,1-5H3.

What are the key properties of 19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine?

19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine has a molecular weight of 795.13 g/mol, XLogP of 16.46, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 19-N-cyclohexa-2,4-dien-1-yl-9-N-(4-heptylphenyl)-12,12,22,22-tetramethyl-9-N,19-N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine is sourced from PubChem (CID 130183972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).