10-N,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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

C56H42F2N2O2 — CID 155360417

About 10-N,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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 155360417) has the molecular formula C56H42F2N2O2 and a molecular weight of 812.96 g/mol. Its IUPAC name is 10-N,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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: 155360417
• Molecular Formula: C56H42F2N2O2
• Molecular Weight: 812.96 g/mol
• Exact Mass: 812.32
• IUPAC Name: 10-N,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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(F)cc2)c2cc3oc4c(ccc5oc6cc(N(c7ccc(F)cc7)c7ccc(C(C)C)cc7)c7ccccc7c6c54)c3c3ccccc23)cc1
• InChI: InChI=1S/C56H42F2N2O2/c1-33(2)35-13-21-39(22-14-35)59(41-25-17-37(57)18-26-41)48-31-51-53(45-11-7-5-9-43(45)48)47-29-30-50-55(56(47)62-51)54-46-12-8-6-10-44(46)49(32-52(54)61-50)60(42-27-19-38(58)20-28-42)40-23-15-36(16-24-40)34(3)4/h5-34H,1-4H3
• InChIKey: KKEGBMIXTHTKRV-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.96
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-N,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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 155360417) is 10-N,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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(F)cc2)c2cc3oc4c(ccc5oc6cc(N(c7ccc(F)cc7)c7ccc(C(C)C)cc7)c7ccccc7c6c54)c3c3ccccc23)cc1.

What is the InChIKey of 10-N,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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 KKEGBMIXTHTKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42F2N2O2/c1-33(2)35-13-21-39(22-14-35)59(41-25-17-37(57)18-26-41)48-31-51-53(45-11-7-5-9-43(45)48)47-29-30-50-55(56(47)62-51)54-46-12-8-6-10-44(46)49(32-52(54)61-50)60(42-27-19-38(58)20-28-42)40-23-15-36(16-24-40)34(3)4/h5-34H,1-4H3.

What are the key properties of 10-N,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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 812.96 g/mol, XLogP of 17.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(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 155360417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).