8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine

C50H28F4N2O2 — CID 155360378

About 8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine

8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine (PubChem CID 155360378) has the molecular formula C50H28F4N2O2 and a molecular weight of 764.78 g/mol. Its IUPAC name is 8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
• PubChem CID: 155360378
• Molecular Formula: C50H28F4N2O2
• Molecular Weight: 764.78 g/mol
• Exact Mass: 764.21
• IUPAC Name: 8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
• SMILES: Fc1ccc(N(c2ccc(F)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3oc4cc5cc(N(c6ccc(F)cc6)c6ccc(F)cc6)ccc5cc4c32)cc1
• InChI: InChI=1S/C50H28F4N2O2/c51-33-3-13-37(14-4-33)55(38-15-5-34(52)6-16-38)41-11-1-29-25-44-43-21-22-46-49(50(43)58-47(44)27-31(29)23-41)45-26-30-2-12-42(24-32(30)28-48(45)57-46)56(39-17-7-35(53)8-18-39)40-19-9-36(54)10-20-40/h1-28H
• InChIKey: WNCNNVIDOFBYCF-UHFFFAOYSA-N
• XLogP: 15.29
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.78
LogP ≤ 5	15.29
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(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The IUPAC name of 8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine (CID 155360378) is 8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine is Fc1ccc(N(c2ccc(F)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3oc4cc5cc(N(c6ccc(F)cc6)c6ccc(F)cc6)ccc5cc4c32)cc1.

What is the InChIKey of 8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The InChIKey is WNCNNVIDOFBYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28F4N2O2/c51-33-3-13-37(14-4-33)55(38-15-5-34(52)6-16-38)41-11-1-29-25-44-43-21-22-46-49(50(43)58-47(44)27-31(29)23-41)45-26-30-2-12-42(24-32(30)28-48(45)57-46)56(39-17-7-35(53)8-18-39)40-19-9-36(54)10-20-40/h1-28H.

What are the key properties of 8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

8-N,8-N,23-N,23-N-tetrakis(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine has a molecular weight of 764.78 g/mol, XLogP of 15.29, 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(4-fluorophenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine is sourced from PubChem (CID 155360378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).