15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol

C71H92N10O5 — CID 157154315

IUPAC15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol
SMILESCC(C)(C)CN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCCC4=O.CC(C)(C)CN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4.CCO.Cn1c2c(c3cc4c(cc31)C(C)(C)C(=O)N4CC(C)(C)C)CCCc1cn[nH]c1-2
InChIInChI=1S/C24H30N4O.C23H28N4O.C22H28N2O2.C2H6O/c1-23(2,3)13-28-19-10-16-15-9-7-8-14-12-25-26-20(14)21(15)27(6)18(16)11-17(19)24(4,5)22(28)29;1-22(2,3)12-27-18-9-15-14-8-6-7-13-11-24-26-19(13)20(14)25-17(15)10-16(18)23(4,5)21(27)28;1-21(2,3)12-24-17-10-14-13-8-6-7-9-18(25)19(13)23-16(14)11-15(17)22(4,5)20(24)26;1-2-3/h10-12H,7-9,13H2,1-6H3,(H,25,26);9-11,25H,6-8,12H2,1-5H3,(H,24,26);10-11,23H,6-9,12H2,1-5H3;3H,2H2,1H3
InChIKeyALQAAFUUNWJZEI-UHFFFAOYSA-N
MW1165.58 g/mol
LogP14.19
Rot. Bonds3

About 15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol

15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol (PubChem CID 157154315) has the molecular formula C71H92N10O5 and a molecular weight of 1165.58 g/mol. Its IUPAC name is 15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol.

Molecular Properties

Compound Name15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol
PubChem CID157154315
Molecular FormulaC71H92N10O5
Molecular Weight1165.58 g/mol
Exact Mass1164.73
IUPAC Name15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol
SMILESCC(C)(C)CN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCCC4=O.CC(C)(C)CN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4.CCO.Cn1c2c(c3cc4c(cc31)C(C)(C)C(=O)N4CC(C)(C)C)CCCc1cn[nH]c1-2
InChIInChI=1S/C24H30N4O.C23H28N4O.C22H28N2O2.C2H6O/c1-23(2,3)13-28-19-10-16-15-9-7-8-14-12-25-26-20(14)21(15)27(6)18(16)11-17(19)24(4,5)22(28)29;1-22(2,3)12-27-18-9-15-14-8-6-7-13-11-24-26-19(13)20(14)25-17(15)10-16(18)23(4,5)21(27)28;1-21(2,3)12-24-17-10-14-13-8-6-7-9-18(25)19(13)23-16(14)11-15(17)22(4,5)20(24)26;1-2-3/h10-12H,7-9,13H2,1-6H3,(H,25,26);9-11,25H,6-8,12H2,1-5H3,(H,24,26);10-11,23H,6-9,12H2,1-5H3;3H,2H2,1H3
InChIKeyALQAAFUUNWJZEI-UHFFFAOYSA-N
XLogP14.19
TPSA192.10 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.58
LogP ≤ 514.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol?
The IUPAC name of 15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol (CID 157154315) is 15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol.
What is the SMILES notation for 15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol?
The canonical SMILES for 15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol is CC(C)(C)CN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCCC4=O.CC(C)(C)CN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4.CCO.Cn1c2c(c3cc4c(cc31)C(C)(C)C(=O)N4CC(C)(C)C)CCCc1cn[nH]c1-2.
What is the InChIKey of 15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol?
The InChIKey is ALQAAFUUNWJZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O.C23H28N4O.C22H28N2O2.C2H6O/c1-23(2,3)13-28-19-10-16-15-9-7-8-14-12-25-26-20(14)21(15)27(6)18(16)11-17(19)24(4,5)22(28)29;1-22(2,3)12-27-18-9-15-14-8-6-7-13-11-24-26-19(13)20(14)25-17(15)10-16(18)23(4,5)21(27)28;1-21(2,3)12-24-17-10-14-13-8-6-7-9-18(25)19(13)23-16(14)11-15(17)22(4,5)20(24)26;1-2-3/h10-12H,7-9,13H2,1-6H3,(H,25,26);9-11,25H,6-8,12H2,1-5H3,(H,24,26);10-11,23H,6-9,12H2,1-5H3;3H,2H2,1H3.
What are the key properties of 15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol?
15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol has a molecular weight of 1165.58 g/mol, XLogP of 14.19, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2,2-dimethylpropyl)-13,13-dimethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5-(2,2-dimethylpropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,2-dimethylpropyl)-7,7,11-trimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;ethanol is sourced from PubChem (CID 157154315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).