4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone

C66H96N8O12 — CID 175750195

IUPAC4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
SMILESCCCc1ccnn1Cc1ccc(CC2OC(=O)C(CC(C)C)N(C)C(=O)C(C)OC(=O)C(CC(C)C)N(C)C(=O)C(Cc3ccc(Cn4nccc4CCC)cc3)OC(=O)C(CC(C)C)N(C)C(=O)C(C)OC(=O)C(CC(C)C)N(C)C2=O)cc1
InChIInChI=1S/C66H96N8O12/c1-17-19-51-29-31-67-73(51)39-49-25-21-47(22-26-49)37-57-61(77)71(15)53(33-41(3)4)63(79)83-46(12)60(76)70(14)56(36-44(9)10)66(82)86-58(38-48-23-27-50(28-24-48)40-74-52(20-18-2)30-32-68-74)62(78)72(16)54(34-42(5)6)64(80)84-45(11)59(75)69(13)55(35-43(7)8)65(81)85-57/h21-32,41-46,53-58H,17-20,33-40H2,1-16H3
InChIKeyATGKHGQUVVRNJB-UHFFFAOYSA-N
MW1193.54 g/mol
LogP8.06
Rot. Bonds20

About 4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone

4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone (PubChem CID 175750195) has the molecular formula C66H96N8O12 and a molecular weight of 1193.54 g/mol. Its IUPAC name is 4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone.

Molecular Properties

Compound Name4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
PubChem CID175750195
Molecular FormulaC66H96N8O12
Molecular Weight1193.54 g/mol
Exact Mass1192.71
IUPAC Name4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
SMILESCCCc1ccnn1Cc1ccc(CC2OC(=O)C(CC(C)C)N(C)C(=O)C(C)OC(=O)C(CC(C)C)N(C)C(=O)C(Cc3ccc(Cn4nccc4CCC)cc3)OC(=O)C(CC(C)C)N(C)C(=O)C(C)OC(=O)C(CC(C)C)N(C)C2=O)cc1
InChIInChI=1S/C66H96N8O12/c1-17-19-51-29-31-67-73(51)39-49-25-21-47(22-26-49)37-57-61(77)71(15)53(33-41(3)4)63(79)83-46(12)60(76)70(14)56(36-44(9)10)66(82)86-58(38-48-23-27-50(28-24-48)40-74-52(20-18-2)30-32-68-74)62(78)72(16)54(34-42(5)6)64(80)84-45(11)59(75)69(13)55(35-43(7)8)65(81)85-57/h21-32,41-46,53-58H,17-20,33-40H2,1-16H3
InChIKeyATGKHGQUVVRNJB-UHFFFAOYSA-N
XLogP8.06
TPSA222.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.54
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone?
The IUPAC name of 4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone (CID 175750195) is 4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone.
What is the SMILES notation for 4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone?
The canonical SMILES for 4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone is CCCc1ccnn1Cc1ccc(CC2OC(=O)C(CC(C)C)N(C)C(=O)C(C)OC(=O)C(CC(C)C)N(C)C(=O)C(Cc3ccc(Cn4nccc4CCC)cc3)OC(=O)C(CC(C)C)N(C)C(=O)C(C)OC(=O)C(CC(C)C)N(C)C2=O)cc1.
What is the InChIKey of 4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone?
The InChIKey is ATGKHGQUVVRNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H96N8O12/c1-17-19-51-29-31-67-73(51)39-49-25-21-47(22-26-49)37-57-61(77)71(15)53(33-41(3)4)63(79)83-46(12)60(76)70(14)56(36-44(9)10)66(82)86-58(38-48-23-27-50(28-24-48)40-74-52(20-18-2)30-32-68-74)62(78)72(16)54(34-42(5)6)64(80)84-45(11)59(75)69(13)55(35-43(7)8)65(81)85-57/h21-32,41-46,53-58H,17-20,33-40H2,1-16H3.
What are the key properties of 4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone?
4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone has a molecular weight of 1193.54 g/mol, XLogP of 8.06, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[[4-[(5-propylpyrazol-1-yl)methyl]phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone is sourced from PubChem (CID 175750195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).