15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

C196H156N6O6 — CID 162101444

About 15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (PubChem CID 162101444) has the molecular formula C196H156N6O6 and a molecular weight of 2697.48 g/mol. Its IUPAC name is 15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
• PubChem CID: 162101444
• Molecular Formula: C196H156N6O6
• Molecular Weight: 2697.48 g/mol
• Exact Mass: 2695.25
• IUPAC Name: 15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
• SMILES: [2H]c1c([2H])c2c3cc4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(C(C)C)c5)cc4cc3oc2c2oc3cc4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc(C(C)C)c5)ccc4cc3c12.[2H]c1c([2H])c2c3cc4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4cc3oc2c2oc3cc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4cc3c12.[2H]c1c2oc3cc4cc(N(c5cc(C(C)C)ccc5C)c5cc(C(C)C)ccc5C)ccc4cc3c2c([2H])c2oc3cc4cc(N(c5cc(C(C)C)ccc5C)c5cc(C(C)C)ccc5C)ccc4cc3c12
• InChI: InChI=1S/C68H52N2O2.C66H64N2O2.C62H40N2O2/c1-43(2)49-17-11-19-57(35-49)69(55-27-21-47(22-28-55)45-13-7-5-8-14-45)59-31-25-51-39-63-61-33-34-62-64-40-52-26-32-60(38-54(52)42-66(64)72-68(62)67(61)71-65(63)41-53(51)37-59)70(58-20-12-18-50(36-58)44(3)4)56-29-23-48(24-30-56)46-15-9-6-10-16-46;1-37(2)45-17-13-41(9)59(29-45)67(60-30-46(38(3)4)18-14-42(60)10)53-23-21-49-27-55-57-35-66-58(36-65(57)69-63(55)33-51(49)25-53)56-28-50-22-24-54(26-52(50)34-64(56)70-66)68(61-31-47(39(5)6)19-15-43(61)11)62-32-48(40(7)8)20-16-44(62)12;1-5-13-41(14-6-1)43-21-27-51(28-22-43)63(49-17-9-3-10-18-49)53-31-25-45-37-57-55-33-34-56-58-38-46-26-32-54(36-48(46)40-60(58)66-62(56)61(55)65-59(57)39-47(45)35-53)64(50-19-11-4-12-20-50)52-29-23-44(24-30-52)42-15-7-2-8-16-42/h5-44H,1-4H3;13-40H,1-12H3;1-40H/i33D,34D;35D,36D;33D,34D
• InChIKey: ZEYAIYOULFGUDQ-IOCTUCSDSA-N
• XLogP: 58.84
• TPSA: 98.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 28
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2697.48
LogP ≤ 5	58.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The IUPAC name of 15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (CID 162101444) is 15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

What is the SMILES notation for 15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The canonical SMILES for 15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is [2H]c1c([2H])c2c3cc4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(C(C)C)c5)cc4cc3oc2c2oc3cc4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc(C(C)C)c5)ccc4cc3c12.[2H]c1c([2H])c2c3cc4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4cc3oc2c2oc3cc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc4cc3c12.[2H]c1c2oc3cc4cc(N(c5cc(C(C)C)ccc5C)c5cc(C(C)C)ccc5C)ccc4cc3c2c([2H])c2oc3cc4cc(N(c5cc(C(C)C)ccc5C)c5cc(C(C)C)ccc5C)ccc4cc3c12.

What is the InChIKey of 15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The InChIKey is ZEYAIYOULFGUDQ-IOCTUCSDSA-N. The full InChI is InChI=1S/C68H52N2O2.C66H64N2O2.C62H40N2O2/c1-43(2)49-17-11-19-57(35-49)69(55-27-21-47(22-28-55)45-13-7-5-8-14-45)59-31-25-51-39-63-61-33-34-62-64-40-52-26-32-60(38-54(52)42-66(64)72-68(62)67(61)71-65(63)41-53(51)37-59)70(58-20-12-18-50(36-58)44(3)4)56-29-23-48(24-30-56)46-15-9-6-10-16-46;1-37(2)45-17-13-41(9)59(29-45)67(60-30-46(38(3)4)18-14-42(60)10)53-23-21-49-27-55-57-35-66-58(36-65(57)69-63(55)33-51(49)25-53)56-28-50-22-24-54(26-52(50)34-64(56)70-66)68(61-31-47(39(5)6)19-15-43(61)11)62-32-48(40(7)8)20-16-44(62)12;1-5-13-41(14-6-1)43-21-27-51(28-22-43)63(49-17-9-3-10-18-49)53-31-25-45-37-57-55-33-34-56-58-38-46-26-32-54(36-48(46)40-60(58)66-62(56)61(55)65-59(57)39-47(45)35-53)64(50-19-11-4-12-20-50)52-29-23-44(24-30-52)42-15-7-2-8-16-42/h5-44H,1-4H3;13-40H,1-12H3;1-40H/i33D,34D;35D,36D;33D,34D.

What are the key properties of 15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine has a molecular weight of 2697.48 g/mol, XLogP of 58.84, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 15,16-dideuterio-8-N,23-N-bis(4-phenylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;15,16-dideuterio-8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine;2,16-dideuterio-9-N,9-N,23-N,23-N-tetrakis(2-methyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is sourced from PubChem (CID 162101444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).