8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

C58H48N2O2 — CID 155362022

About 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (PubChem CID 155362022) has the molecular formula C58H48N2O2 and a molecular weight of 805.03 g/mol. Its IUPAC name is 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
• PubChem CID: 155362022
• Molecular Formula: C58H48N2O2
• Molecular Weight: 805.03 g/mol
• Exact Mass: 804.37
• IUPAC Name: 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
• SMILES: Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccc(C)c(C)c7)c7ccc(C)c(C)c7)ccc6cc5c3c24)cc1C
• InChI: InChI=1S/C58H48N2O2/c1-33-9-15-45(23-37(33)5)59(46-16-10-34(2)38(6)24-46)49-19-13-41-29-51-55(31-43(41)27-49)61-53-21-22-54-58(57(51)53)52-30-42-14-20-50(28-44(42)32-56(52)62-54)60(47-17-11-35(3)39(7)25-47)48-18-12-36(4)40(8)26-48/h9-32H,1-8H3
• InChIKey: AEXGVJRJFSNZMO-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.03
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

The IUPAC name of 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (CID 155362022) is 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccc(C)c(C)c7)c7ccc(C)c(C)c7)ccc6cc5c3c24)cc1C.

What is the InChIKey of 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

The InChIKey is AEXGVJRJFSNZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2O2/c1-33-9-15-45(23-37(33)5)59(46-16-10-34(2)38(6)24-46)49-19-13-41-29-51-55(31-43(41)27-49)61-53-21-22-54-58(57(51)53)52-30-42-14-20-50(28-44(42)32-56(52)62-54)60(47-17-11-35(3)39(7)25-47)48-18-12-36(4)40(8)26-48/h9-32H,1-8H3.

What are the key properties of 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine has a molecular weight of 805.03 g/mol, XLogP of 17.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is sourced from PubChem (CID 155362022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).