7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene

C130H181N17O3 — CID 158648976

IUPAC7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene
SMILESCC(C)N1Cc2cccc(c2)CN(C(C)C)Cc2cccc(c2)CN(C(C)C)Cc2cccc(c2)C1.CC(C)N1Cc2cccc(c2)CN(C(C)C)Cc2cncc(c2)CN(C(C)C)Cc2cncc(c2)C1.CC(C)N1Cc2cccc(n2)CN(C(C)C)Cc2cccc(n2)CN(C(C)C)Cc2cccc(n2)C1.COc1cc2cc(c1)CN(C(C)C)Cc1cc(cc(OC)c1)CN(C(C)C)Cc1cc(cc(OC)c1)CN(C(C)C)C2
InChIInChI=1S/C36H51N3O3.C33H45N3.C31H43N5.C30H42N6/c1-25(2)37-19-28-10-30(15-34(13-28)40-7)21-38(26(3)4)23-32-12-33(18-36(17-32)42-9)24-39(27(5)6)22-31-11-29(20-37)14-35(16-31)41-8;1-25(2)34-19-28-10-7-12-30(16-28)21-35(26(3)4)23-32-14-9-15-33(18-32)24-36(27(5)6)22-31-13-8-11-29(17-31)20-34;1-23(2)34-17-26-8-7-9-27(10-26)18-35(24(3)4)20-29-12-31(16-33-14-29)22-36(25(5)6)21-30-11-28(19-34)13-32-15-30;1-22(2)34-16-25-10-7-12-27(31-25)18-35(23(3)4)20-29-14-9-15-30(33-29)21-36(24(5)6)19-28-13-8-11-26(17-34)32-28/h10-18,25-27H,19-24H2,1-9H3;7-18,25-27H,19-24H2,1-6H3;7-16,23-25H,17-22H2,1-6H3;7-15,22-24H,16-21H2,1-6H3
InChIKeyIBHVLVVUEBZLOB-UHFFFAOYSA-N
MW2029.99 g/mol
LogP25.93
Rot. Bonds15

About 7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene

7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene (PubChem CID 158648976) has the molecular formula C130H181N17O3 and a molecular weight of 2029.99 g/mol. Its IUPAC name is 7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene.

Molecular Properties

Compound Name7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene
PubChem CID158648976
Molecular FormulaC130H181N17O3
Molecular Weight2029.99 g/mol
Exact Mass2028.45
IUPAC Name7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene
SMILESCC(C)N1Cc2cccc(c2)CN(C(C)C)Cc2cccc(c2)CN(C(C)C)Cc2cccc(c2)C1.CC(C)N1Cc2cccc(c2)CN(C(C)C)Cc2cncc(c2)CN(C(C)C)Cc2cncc(c2)C1.CC(C)N1Cc2cccc(n2)CN(C(C)C)Cc2cccc(n2)CN(C(C)C)Cc2cccc(n2)C1.COc1cc2cc(c1)CN(C(C)C)Cc1cc(cc(OC)c1)CN(C(C)C)Cc1cc(cc(OC)c1)CN(C(C)C)C2
InChIInChI=1S/C36H51N3O3.C33H45N3.C31H43N5.C30H42N6/c1-25(2)37-19-28-10-30(15-34(13-28)40-7)21-38(26(3)4)23-32-12-33(18-36(17-32)42-9)24-39(27(5)6)22-31-11-29(20-37)14-35(16-31)41-8;1-25(2)34-19-28-10-7-12-30(16-28)21-35(26(3)4)23-32-14-9-15-33(18-32)24-36(27(5)6)22-31-13-8-11-29(17-31)20-34;1-23(2)34-17-26-8-7-9-27(10-26)18-35(24(3)4)20-29-12-31(16-33-14-29)22-36(25(5)6)21-30-11-28(19-34)13-32-15-30;1-22(2)34-16-25-10-7-12-27(31-25)18-35(23(3)4)20-29-14-9-15-30(33-29)21-36(24(5)6)19-28-13-8-11-26(17-34)32-28/h10-18,25-27H,19-24H2,1-9H3;7-18,25-27H,19-24H2,1-6H3;7-16,23-25H,17-22H2,1-6H3;7-15,22-24H,16-21H2,1-6H3
InChIKeyIBHVLVVUEBZLOB-UHFFFAOYSA-N
XLogP25.93
TPSA131.02 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002029.99
LogP ≤ 525.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene?
The IUPAC name of 7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene (CID 158648976) is 7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene.
What is the SMILES notation for 7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene?
The canonical SMILES for 7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene is CC(C)N1Cc2cccc(c2)CN(C(C)C)Cc2cccc(c2)CN(C(C)C)Cc2cccc(c2)C1.CC(C)N1Cc2cccc(c2)CN(C(C)C)Cc2cncc(c2)CN(C(C)C)Cc2cncc(c2)C1.CC(C)N1Cc2cccc(n2)CN(C(C)C)Cc2cccc(n2)CN(C(C)C)Cc2cccc(n2)C1.COc1cc2cc(c1)CN(C(C)C)Cc1cc(cc(OC)c1)CN(C(C)C)Cc1cc(cc(OC)c1)CN(C(C)C)C2.
What is the InChIKey of 7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene?
The InChIKey is IBHVLVVUEBZLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51N3O3.C33H45N3.C31H43N5.C30H42N6/c1-25(2)37-19-28-10-30(15-34(13-28)40-7)21-38(26(3)4)23-32-12-33(18-36(17-32)42-9)24-39(27(5)6)22-31-11-29(20-37)14-35(16-31)41-8;1-25(2)34-19-28-10-7-12-30(16-28)21-35(26(3)4)23-32-14-9-15-33(18-32)24-36(27(5)6)22-31-13-8-11-29(17-31)20-34;1-23(2)34-17-26-8-7-9-27(10-26)18-35(24(3)4)20-29-12-31(16-33-14-29)22-36(25(5)6)21-30-11-28(19-34)13-32-15-30;1-22(2)34-16-25-10-7-12-27(31-25)18-35(23(3)4)20-29-14-9-15-30(33-29)21-36(24(5)6)19-28-13-8-11-26(17-34)32-28/h10-18,25-27H,19-24H2,1-9H3;7-18,25-27H,19-24H2,1-6H3;7-16,23-25H,17-22H2,1-6H3;7-15,22-24H,16-21H2,1-6H3.
What are the key properties of 7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene?
7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene has a molecular weight of 2029.99 g/mol, XLogP of 25.93, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15,23-trimethoxy-3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19,25,26,27-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,7,11,15,19-pentazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene;3,11,19-tri(propan-2-yl)-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene is sourced from PubChem (CID 158648976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).