10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine

C62H56N2O2 — CID 155360889

About 10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine

10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine (PubChem CID 155360889) has the molecular formula C62H56N2O2 and a molecular weight of 861.14 g/mol. Its IUPAC name is 10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine.

Molecular Properties

• Compound Name: 10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
• PubChem CID: 155360889
• Molecular Formula: C62H56N2O2
• Molecular Weight: 861.14 g/mol
• Exact Mass: 860.43
• IUPAC Name: 10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc3oc4c(ccc5oc6cc(N(c7ccc(C(C)C)cc7)c7ccc(C(C)C)cc7)c7ccccc7c6c54)c3c3ccccc23)cc1
• InChI: InChI=1S/C62H56N2O2/c1-37(2)41-17-25-45(26-18-41)63(46-27-19-42(20-28-46)38(3)4)54-35-57-59(51-15-11-9-13-49(51)54)53-33-34-56-61(62(53)66-57)60-52-16-12-10-14-50(52)55(36-58(60)65-56)64(47-29-21-43(22-30-47)39(5)6)48-31-23-44(24-32-48)40(7)8/h9-40H,1-8H3
• InChIKey: AMFDOLDVLUHBSJ-UHFFFAOYSA-N
• XLogP: 19.23
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.14
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine?

The IUPAC name of 10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine (CID 155360889) is 10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine.

What is the SMILES notation for 10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine?

The canonical SMILES for 10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc3oc4c(ccc5oc6cc(N(c7ccc(C(C)C)cc7)c7ccc(C(C)C)cc7)c7ccccc7c6c54)c3c3ccccc23)cc1.

What is the InChIKey of 10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine?

The InChIKey is AMFDOLDVLUHBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N2O2/c1-37(2)41-17-25-45(26-18-41)63(46-27-19-42(20-28-46)38(3)4)54-35-57-59(51-15-11-9-13-49(51)54)53-33-34-56-61(62(53)66-57)60-52-16-12-10-14-50(52)55(36-58(60)65-56)64(47-29-21-43(22-30-47)39(5)6)48-31-23-44(24-32-48)40(7)8/h9-40H,1-8H3.

What are the key properties of 10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine?

10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine has a molecular weight of 861.14 g/mol, XLogP of 19.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine is sourced from PubChem (CID 155360889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).