9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine

C206H176N6O6 — CID 162153533

About 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine

9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine (PubChem CID 162153533) has the molecular formula C206H176N6O6 and a molecular weight of 2831.71 g/mol. Its IUPAC name is 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
• PubChem CID: 162153533
• Molecular Formula: C206H176N6O6
• Molecular Weight: 2831.71 g/mol
• Exact Mass: 2829.37
• IUPAC Name: 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(ccc4c5cc6c(cc5oc34)oc3c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4ccc63)c2)cc1.CC(C)(c1ccccc1)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2ccc3c(ccc4c5cc6c(cc5oc34)oc3c4ccc(N(c5ccc(C(C)(C)c7ccccc7)cc5)c5ccc(C(C)(C)c7ccccc7)cc5)cc4ccc63)c2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(ccc4c5cc6c(cc5oc34)oc3c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4ccc63)c2)cc1
• InChI: InChI=1S/C86H72N2O2.C66H64N2O2.C54H40N2O2/c1-83(2,59-21-13-9-14-22-59)63-31-39-67(40-32-63)87(68-41-33-64(34-42-68)84(3,4)60-23-15-10-16-24-60)71-47-51-73-57(53-71)29-49-75-77-55-78-76-50-30-58-54-72(48-52-74(58)82(76)90-80(78)56-79(77)89-81(73)75)88(69-43-35-65(36-44-69)85(5,6)61-25-17-11-18-26-61)70-45-37-66(38-46-70)86(7,8)62-27-19-12-20-28-62;1-63(2,3)43-15-23-47(24-16-43)67(48-25-17-44(18-26-48)64(4,5)6)51-31-35-53-41(37-51)13-33-55-57-39-58-56-34-14-42-38-52(32-36-54(42)62(56)70-60(58)40-59(57)69-61(53)55)68(49-27-19-45(20-28-49)65(7,8)9)50-29-21-46(22-30-50)66(10,11)12;1-33-5-15-39(16-6-33)55(40-17-7-34(2)8-18-40)43-23-27-45-37(29-43)13-25-47-49-31-50-48-26-14-38-30-44(24-28-46(38)54(48)58-52(50)32-51(49)57-53(45)47)56(41-19-9-35(3)10-20-41)42-21-11-36(4)12-22-42/h9-56H,1-8H3;13-40H,1-12H3;5-32H,1-4H3
• InChIKey: ZLNJUVXWSDMMMK-UHFFFAOYSA-N
• XLogP: 59.92
• TPSA: 98.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 26
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2831.71
LogP ≤ 5	59.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

The IUPAC name of 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine (CID 162153533) is 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(ccc4c5cc6c(cc5oc34)oc3c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4ccc63)c2)cc1.CC(C)(c1ccccc1)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2ccc3c(ccc4c5cc6c(cc5oc34)oc3c4ccc(N(c5ccc(C(C)(C)c7ccccc7)cc5)c5ccc(C(C)(C)c7ccccc7)cc5)cc4ccc63)c2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(ccc4c5cc6c(cc5oc34)oc3c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4ccc63)c2)cc1.

What is the InChIKey of 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

The InChIKey is ZLNJUVXWSDMMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H72N2O2.C66H64N2O2.C54H40N2O2/c1-83(2,59-21-13-9-14-22-59)63-31-39-67(40-32-63)87(68-41-33-64(34-42-68)84(3,4)60-23-15-10-16-24-60)71-47-51-73-57(53-71)29-49-75-77-55-78-76-50-30-58-54-72(48-52-74(58)82(76)90-80(78)56-79(77)89-81(73)75)88(69-43-35-65(36-44-69)85(5,6)61-25-17-11-18-26-61)70-45-37-66(38-46-70)86(7,8)62-27-19-12-20-28-62;1-63(2,3)43-15-23-47(24-16-43)67(48-25-17-44(18-26-48)64(4,5)6)51-31-35-53-41(37-51)13-33-55-57-39-58-56-34-14-42-38-52(32-36-54(42)62(56)70-60(58)40-59(57)69-61(53)55)68(49-27-19-45(20-28-49)65(7,8)9)50-29-21-46(22-30-50)66(10,11)12;1-33-5-15-39(16-6-33)55(40-17-7-34(2)8-18-40)43-23-27-45-37(29-43)13-25-47-49-31-50-48-26-14-38-30-44(24-28-46(38)54(48)58-52(50)32-51(49)57-53(45)47)56(41-19-9-35(3)10-20-41)42-21-11-36(4)12-22-42/h9-56H,1-8H3;13-40H,1-12H3;5-32H,1-4H3.

What are the key properties of 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine has a molecular weight of 2831.71 g/mol, XLogP of 59.92, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,9-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine is sourced from PubChem (CID 162153533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).