14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol

C108H92N12O6 — CID 159798572

About 14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol

14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol (PubChem CID 159798572) has the molecular formula C108H92N12O6 and a molecular weight of 1654.00 g/mol. Its IUPAC name is 14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol.

Molecular Properties

• Compound Name: 14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol
• PubChem CID: 159798572
• Molecular Formula: C108H92N12O6
• Molecular Weight: 1654.00 g/mol
• Exact Mass: 1652.73
• IUPAC Name: 14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol
• SMILES: Cc1cc2c(-c3ccccc3)nc3ccccc3nc(-c3ccccc3)c3cc(C)cc(c(-c4ccccc4)nc4ccccc4nc(-c4ccccc4)c(c1)c2O)c3O.Cc1cc2c(O)c(c1)/C=N\CCC/N=C/c1cc(C)cc(c1O)/C=N/CCC/N=C\2.Cc1cc2cnc3ccccc3ncc3cc(C)cc(cnc4ccccc4ncc(c1)c2O)c3O
• InChI: InChI=1S/C54H40N4O2.C30H24N4O2.C24H28N4O2/c1-35-31-41-49(37-19-7-3-8-20-37)55-45-27-15-17-29-47(45)57-51(39-23-11-5-12-24-39)43-33-36(2)34-44(54(43)60)52(40-25-13-6-14-26-40)58-48-30-18-16-28-46(48)56-50(42(32-35)53(41)59)38-21-9-4-10-22-38;1-19-11-21-15-31-25-7-3-5-9-27(25)33-17-23-13-20(2)14-24(30(23)36)18-34-28-10-6-4-8-26(28)32-16-22(12-19)29(21)35;1-17-9-19-13-25-5-3-7-27-15-21-11-18(2)12-22(24(21)30)16-28-8-4-6-26-14-20(10-17)23(19)29/h3-34,59-60H,1-2H3;3-18,35-36H,1-2H3;9-16,29-30H,3-8H2,1-2H3/b55-49-,56-50+,57-51+,58-52-;31-15-,32-16+,33-17+,34-18+;25-13-,26-14-,27-15+,28-16+
• InChIKey: NJMIBLLUDSIFEE-CWJWDMNWSA-N
• XLogP: 23.99
• TPSA: 273.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 4
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1654.00
LogP ≤ 5	23.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol?

The IUPAC name of 14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol (CID 159798572) is 14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol.

What is the SMILES notation for 14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol?

The canonical SMILES for 14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol is Cc1cc2c(-c3ccccc3)nc3ccccc3nc(-c3ccccc3)c3cc(C)cc(c(-c4ccccc4)nc4ccccc4nc(-c4ccccc4)c(c1)c2O)c3O.Cc1cc2c(O)c(c1)/C=N\CCC/N=C/c1cc(C)cc(c1O)/C=N/CCC/N=C\2.Cc1cc2cnc3ccccc3ncc3cc(C)cc(cnc4ccccc4ncc(c1)c2O)c3O.

What is the InChIKey of 14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol?

The InChIKey is NJMIBLLUDSIFEE-CWJWDMNWSA-N. The full InChI is InChI=1S/C54H40N4O2.C30H24N4O2.C24H28N4O2/c1-35-31-41-49(37-19-7-3-8-20-37)55-45-27-15-17-29-47(45)57-51(39-23-11-5-12-24-39)43-33-36(2)34-44(54(43)60)52(40-25-13-6-14-26-40)58-48-30-18-16-28-46(48)56-50(42(32-35)53(41)59)38-21-9-4-10-22-38;1-19-11-21-15-31-25-7-3-5-9-27(25)33-17-23-13-20(2)14-24(30(23)36)18-34-28-10-6-4-8-26(28)32-16-22(12-19)29(21)35;1-17-9-19-13-25-5-3-7-27-15-21-11-18(2)12-22(24(21)30)16-28-8-4-6-26-14-20(10-17)23(19)29/h3-34,59-60H,1-2H3;3-18,35-36H,1-2H3;9-16,29-30H,3-8H2,1-2H3/b55-49-,56-50+,57-51+,58-52-;31-15-,32-16+,33-17+,34-18+;25-13-,26-14-,27-15+,28-16+.

What are the key properties of 14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol?

14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol has a molecular weight of 1654.00 g/mol, XLogP of 23.99, 4 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 14,29-dimethyl-2,11,17,26-tetraphenyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;14,29-dimethyl-3,10,18,25-tetrazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene-31,32-diol;11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),2,7,9,11,13(26),14,19,21(25),22-decaene-25,26-diol is sourced from PubChem (CID 159798572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).