15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine

C64H61N3O2 — CID 155360221

About 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine

15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine (PubChem CID 155360221) has the molecular formula C64H61N3O2 and a molecular weight of 904.21 g/mol. Its IUPAC name is 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine.

Molecular Properties

• Compound Name: 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine
• PubChem CID: 155360221
• Molecular Formula: C64H61N3O2
• Molecular Weight: 904.21 g/mol
• Exact Mass: 903.48
• IUPAC Name: 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine
• SMILES: CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)oc2c4cc(N(C)C)c3oc4cc5cc(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)ccc5cc4c32)cc1
• InChI: InChI=1S/C64H61N3O2/c1-38(2)42-11-21-50(22-12-42)66(51-23-13-43(14-24-51)39(3)4)54-29-19-46-33-56-57-37-59(65(9)10)64-62(63(57)68-60(56)35-48(46)31-54)58-34-47-20-30-55(32-49(47)36-61(58)69-64)67(52-25-15-44(16-26-52)40(5)6)53-27-17-45(18-28-53)41(7)8/h11-41H,1-10H3
• InChIKey: UGXQLRQCIANNJX-UHFFFAOYSA-N
• XLogP: 19.29
• TPSA: 36.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	904.21
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine?

The IUPAC name of 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine (CID 155360221) is 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine.

What is the SMILES notation for 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine?

The canonical SMILES for 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)oc2c4cc(N(C)C)c3oc4cc5cc(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)ccc5cc4c32)cc1.

What is the InChIKey of 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine?

The InChIKey is UGXQLRQCIANNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H61N3O2/c1-38(2)42-11-21-50(22-12-42)66(51-23-13-43(14-24-51)39(3)4)54-29-19-46-33-56-57-37-59(65(9)10)64-62(63(57)68-60(56)35-48(46)31-54)58-34-47-20-30-55(32-49(47)36-61(58)69-64)67(52-25-15-44(16-26-52)40(5)6)53-27-17-45(18-28-53)41(7)8/h11-41H,1-10H3.

What are the key properties of 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine?

15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine has a molecular weight of 904.21 g/mol, XLogP of 19.29, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-N,15-N-dimethyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,15,23-triamine is sourced from PubChem (CID 155360221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).