8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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

C178H146F2N8O6Si — CID 159051381

About 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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 159051381) has the molecular formula C178H146F2N8O6Si and a molecular weight of 2559.26 g/mol. Its IUPAC name is 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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: 159051381
• Molecular Formula: C178H146F2N8O6Si
• Molecular Weight: 2559.26 g/mol
• Exact Mass: 2557.11
• IUPAC Name: 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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: CC(C)(C)c1ccc(N(c2ccc(F)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3oc4cc5cc(N(c6ccc(F)cc6)c6ccc(C(C)(C)C)cc6)ccc5cc4c32)cc1.Cc1ccc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)oc2c4ccc3oc4cc5cc(N(c6ccc([Si](C)(C)C)cc6)c6cc(C)c(C)c(C)c6)ccc5cc4c32)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3oc4cc5cc(N(c6ccc(C#N)cc6)c6ccc(C(C)(C)C)cc6)ccc5cc4c32)cc1
• InChI: InChI=1S/C60H46N4O2.C60H54N2O2Si.C58H46F2N2O2/c1-59(2,3)42-12-22-46(23-13-42)63(45-18-8-37(36-61)9-19-45)49-21-11-39-33-53-56(35-41(39)31-49)65-54-29-28-51-52-32-38-10-20-50(30-40(38)34-55(52)66-58(51)57(53)54)64(48-26-16-44(62-7)17-27-48)47-24-14-43(15-25-47)60(4,5)6;1-35-11-15-46(16-12-35)61(50-25-36(2)40(6)37(3)26-50)48-17-13-42-31-54-53-23-24-56-59(60(53)64-57(54)33-44(42)29-48)55-32-43-14-18-49(30-45(43)34-58(55)63-56)62(51-27-38(4)41(7)39(5)28-51)47-19-21-52(22-20-47)65(8,9)10;1-57(2,3)39-9-19-43(20-10-39)61(45-23-13-41(59)14-24-45)47-17-7-35-31-50-49-27-28-52-55(56(49)64-53(50)33-37(35)29-47)51-32-36-8-18-48(30-38(36)34-54(51)63-52)62(46-25-15-42(60)16-26-46)44-21-11-40(12-22-44)58(4,5)6/h8-35H,1-6H3;11-34H,1-10H3;7-34H,1-6H3
• InChIKey: JXHRLWFDKLDXMP-UHFFFAOYSA-N
• XLogP: 52.79
• TPSA: 126.43 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2559.26
LogP ≤ 5	52.79
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 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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 159051381) is 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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 CC(C)(C)c1ccc(N(c2ccc(F)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3oc4cc5cc(N(c6ccc(F)cc6)c6ccc(C(C)(C)C)cc6)ccc5cc4c32)cc1.Cc1ccc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)oc2c4ccc3oc4cc5cc(N(c6ccc([Si](C)(C)C)cc6)c6cc(C)c(C)c(C)c6)ccc5cc4c32)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c(cc3c2)oc2c4ccc3oc4cc5cc(N(c6ccc(C#N)cc6)c6ccc(C(C)(C)C)cc6)ccc5cc4c32)cc1.

What is the InChIKey of 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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 JXHRLWFDKLDXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N4O2.C60H54N2O2Si.C58H46F2N2O2/c1-59(2,3)42-12-22-46(23-13-42)63(45-18-8-37(36-61)9-19-45)49-21-11-39-33-53-56(35-41(39)31-49)65-54-29-28-51-52-32-38-10-20-50(30-40(38)34-55(52)66-58(51)57(53)54)64(48-26-16-44(62-7)17-27-48)47-24-14-43(15-25-47)60(4,5)6;1-35-11-15-46(16-12-35)61(50-25-36(2)40(6)37(3)26-50)48-17-13-42-31-54-53-23-24-56-59(60(53)64-57(54)33-44(42)29-48)55-32-43-14-18-49(30-45(43)34-58(55)63-56)62(51-27-38(4)41(7)39(5)28-51)47-19-21-52(22-20-47)65(8,9)10;1-57(2,3)39-9-19-43(20-10-39)61(45-23-13-41(59)14-24-45)47-17-7-35-31-50-49-27-28-52-55(56(49)64-53(50)33-37(35)29-47)51-32-36-8-18-48(30-38(36)34-54(51)63-52)62(46-25-15-42(60)16-26-46)44-21-11-40(12-22-44)58(4,5)6/h8-35H,1-6H3;11-34H,1-10H3;7-34H,1-6H3.

What are the key properties of 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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 2559.26 g/mol, XLogP of 52.79, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-bis(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;4-(4-tert-butyl-N-[23-(4-tert-butyl-N-(4-isocyanophenyl)anilino)-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-tridecaen-8-yl]anilino)benzonitrile;23-N-(4-methylphenyl)-8-N,23-N-bis(3,4,5-trimethylphenyl)-8-N-(4-trimethylsilylphenyl)-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 159051381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).