11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine

C174H138F2N8O6Si — CID 158515530

About 11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine

11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine (PubChem CID 158515530) has the molecular formula C174H138F2N8O6Si and a molecular weight of 2503.15 g/mol. Its IUPAC name is 11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine.

Molecular Properties

• Compound Name: 11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
• PubChem CID: 158515530
• Molecular Formula: C174H138F2N8O6Si
• Molecular Weight: 2503.15 g/mol
• Exact Mass: 2501.05
• IUPAC Name: 11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(F)cc2)c2cc3oc4cc5oc6cc(N(c7ccc(F)cc7)c7ccc(C(C)C)cc7)c7ccccc7c6c5cc4c3c3ccccc23)cc1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2cc3oc4cc5oc6cc(N(c7ccc(C(C)C)cc7)c7ccc([Si](C)(C)C)cc7)c7ccccc7c6c5cc4c3c3ccccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(C)C)cc2)c2cc3oc4cc5oc6cc(N(c7ccc(C#N)cc7)c7ccc(C(C)C)cc7)c7ccccc7c6c5cc4c3c3ccccc23)cc1
• InChI: InChI=1S/C60H54N2O2Si.C58H42N4O2.C56H42F2N2O2/c1-37(2)40-19-25-43(26-20-40)61(42-23-17-39(5)18-24-42)53-34-57-59(49-15-11-9-13-47(49)53)51-33-52-56(36-55(51)63-57)64-58-35-54(48-14-10-12-16-50(48)60(52)58)62(44-27-21-41(22-28-44)38(3)4)45-29-31-46(32-30-45)65(6,7)8;1-35(2)38-16-24-42(25-17-38)61(41-22-14-37(34-59)15-23-41)51-31-55-57(47-12-8-6-10-45(47)51)49-30-50-54(33-53(49)63-55)64-56-32-52(46-11-7-9-13-48(46)58(50)56)62(44-28-20-40(60-5)21-29-44)43-26-18-39(19-27-43)36(3)4;1-33(2)35-13-21-39(22-14-35)59(41-25-17-37(57)18-26-41)49-30-53-55(45-11-7-5-9-43(45)49)47-29-48-52(32-51(47)61-53)62-54-31-50(44-10-6-8-12-46(44)56(48)54)60(42-27-19-38(58)20-28-42)40-23-15-36(16-24-40)34(3)4/h9-38H,1-8H3;6-33,35-36H,1-4H3;5-34H,1-4H3
• InChIKey: HLOSFKLSOIQILZ-UHFFFAOYSA-N
• XLogP: 52.49
• TPSA: 126.43 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2503.15
LogP ≤ 5	52.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?

The IUPAC name of 11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine (CID 158515530) is 11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine.

What is the SMILES notation for 11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?

The canonical SMILES for 11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine is CC(C)c1ccc(N(c2ccc(F)cc2)c2cc3oc4cc5oc6cc(N(c7ccc(F)cc7)c7ccc(C(C)C)cc7)c7ccccc7c6c5cc4c3c3ccccc23)cc1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2cc3oc4cc5oc6cc(N(c7ccc(C(C)C)cc7)c7ccc([Si](C)(C)C)cc7)c7ccccc7c6c5cc4c3c3ccccc23)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(C)C)cc2)c2cc3oc4cc5oc6cc(N(c7ccc(C#N)cc7)c7ccc(C(C)C)cc7)c7ccccc7c6c5cc4c3c3ccccc23)cc1.

What is the InChIKey of 11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?

The InChIKey is HLOSFKLSOIQILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N2O2Si.C58H42N4O2.C56H42F2N2O2/c1-37(2)40-19-25-43(26-20-40)61(42-23-17-39(5)18-24-42)53-34-57-59(49-15-11-9-13-47(49)53)51-33-52-56(36-55(51)63-57)64-58-35-54(48-14-10-12-16-50(48)60(52)58)62(44-27-21-41(22-28-44)38(3)4)45-29-31-46(32-30-45)65(6,7)8;1-35(2)38-16-24-42(25-17-38)61(41-22-14-37(34-59)15-23-41)51-31-55-57(47-12-8-6-10-45(47)51)49-30-50-54(33-53(49)63-55)64-56-32-52(46-11-7-9-13-48(46)58(50)56)62(44-28-20-40(60-5)21-29-44)43-26-18-39(19-27-43)36(3)4;1-33(2)35-13-21-39(22-14-35)59(41-25-17-37(57)18-26-41)49-30-53-55(45-11-7-5-9-43(45)49)47-29-48-52(32-51(47)61-53)62-54-31-50(44-10-6-8-12-46(44)56(48)54)60(42-27-19-38(58)20-28-42)40-23-15-36(16-24-40)34(3)4/h9-38H,1-8H3;6-33,35-36H,1-4H3;5-34H,1-4H3.

What are the key properties of 11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?

11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine has a molecular weight of 2503.15 g/mol, XLogP of 52.49, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 11-N,21-N-bis(4-fluorophenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine;4-(N-[21-(N-(4-isocyanophenyl)-4-propan-2-ylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaen-11-yl]-4-propan-2-ylanilino)benzonitrile;11-N-(4-methylphenyl)-11-N,21-N-bis(4-propan-2-ylphenyl)-21-N-(4-trimethylsilylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine is sourced from PubChem (CID 158515530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).