8-N,8-N,23-N,23-N-tetrakis(2,5-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 155362025

About 8-N,8-N,23-N,23-N-tetrakis(2,5-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(2,5-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 155362025) 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(2,5-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(2,5-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: 155362025
• Molecular Formula: C58H48N2O2
• Molecular Weight: 805.03 g/mol
• Exact Mass: 804.37
• IUPAC Name: 8-N,8-N,23-N,23-N-tetrakis(2,5-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(C)c(N(c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7cc(C)ccc7C)c7cc(C)ccc7C)ccc6cc5c3c24)c2cc(C)ccc2C)c1
• InChI: InChI=1S/C58H48N2O2/c1-33-9-13-37(5)49(23-33)59(50-24-34(2)10-14-38(50)6)45-19-17-41-29-47-55(31-43(41)27-45)61-53-21-22-54-58(57(47)53)48-30-42-18-20-46(28-44(42)32-56(48)62-54)60(51-25-35(3)11-15-39(51)7)52-26-36(4)12-16-40(52)8/h9-32H,1-8H3
• InChIKey: LXUJGHWPMIUYHD-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(2,5-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(2,5-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 155362025) is 8-N,8-N,23-N,23-N-tetrakis(2,5-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(2,5-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(2,5-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(C)c(N(c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7cc(C)ccc7C)c7cc(C)ccc7C)ccc6cc5c3c24)c2cc(C)ccc2C)c1.

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

What are the key properties of 8-N,8-N,23-N,23-N-tetrakis(2,5-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(2,5-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(2,5-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 155362025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).