8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine

C56H42F2N2O2 — CID 155359507

About 8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine

8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine (PubChem CID 155359507) has the molecular formula C56H42F2N2O2 and a molecular weight of 812.96 g/mol. Its IUPAC name is 8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine
• PubChem CID: 155359507
• Molecular Formula: C56H42F2N2O2
• Molecular Weight: 812.96 g/mol
• Exact Mass: 812.32
• IUPAC Name: 8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(ccc4c3oc3ccc5oc6c7ccc(N(c8ccc(F)cc8)c8ccc(C(C)C)cc8)cc7ccc6c5c34)c2)cc1
• InChI: InChI=1S/C56H42F2N2O2/c1-33(2)35-5-15-41(16-6-35)59(43-19-11-39(57)12-20-43)45-23-27-47-37(31-45)9-25-49-53-51(61-55(47)49)29-30-52-54(53)50-26-10-38-32-46(24-28-48(38)56(50)62-52)60(44-21-13-40(58)14-22-44)42-17-7-36(8-18-42)34(3)4/h5-34H,1-4H3
• InChIKey: PRWYORCRKGMKKN-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 8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine?

The IUPAC name of 8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine (CID 155359507) is 8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine is CC(C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(ccc4c3oc3ccc5oc6c7ccc(N(c8ccc(F)cc8)c8ccc(C(C)C)cc8)cc7ccc6c5c34)c2)cc1.

What is the InChIKey of 8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine?

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

What are the key properties of 8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine?

8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-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 8-N,23-N-bis(4-fluorophenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine is sourced from PubChem (CID 155359507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).