3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone

C64H60N4O8 — CID 132575390

IUPAC3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
SMILESCOc1ccc(CN2Cc3ccc(cc3)C(=O)N(Cc3ccc(OC)cc3)Cc3ccc(cc3)C(=O)N(Cc3ccc(OC)cc3)Cc3ccc(cc3)C(=O)N(Cc3ccc(OC)cc3)Cc3ccc(cc3)C2=O)cc1
InChIInChI=1S/C64H60N4O8/c1-73-57-29-13-49(14-30-57)41-65-37-45-5-23-54(24-6-45)62(70)67(43-51-17-33-59(75-3)34-18-51)39-47-9-27-56(28-10-47)64(72)68(44-52-19-35-60(76-4)36-20-52)40-48-11-25-55(26-12-48)63(71)66(42-50-15-31-58(74-2)32-16-50)38-46-7-21-53(22-8-46)61(65)69/h5-36H,37-44H2,1-4H3
InChIKeyVDELZTPOHDNPJS-UHFFFAOYSA-N
MW1013.20 g/mol
LogP11.40
Rot. Bonds12

About 3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone

3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone (PubChem CID 132575390) has the molecular formula C64H60N4O8 and a molecular weight of 1013.20 g/mol. Its IUPAC name is 3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone.

Molecular Properties

Compound Name3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
PubChem CID132575390
Molecular FormulaC64H60N4O8
Molecular Weight1013.20 g/mol
Exact Mass1012.44
IUPAC Name3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
SMILESCOc1ccc(CN2Cc3ccc(cc3)C(=O)N(Cc3ccc(OC)cc3)Cc3ccc(cc3)C(=O)N(Cc3ccc(OC)cc3)Cc3ccc(cc3)C(=O)N(Cc3ccc(OC)cc3)Cc3ccc(cc3)C2=O)cc1
InChIInChI=1S/C64H60N4O8/c1-73-57-29-13-49(14-30-57)41-65-37-45-5-23-54(24-6-45)62(70)67(43-51-17-33-59(75-3)34-18-51)39-47-9-27-56(28-10-47)64(72)68(44-52-19-35-60(76-4)36-20-52)40-48-11-25-55(26-12-48)63(71)66(42-50-15-31-58(74-2)32-16-50)38-46-7-21-53(22-8-46)61(65)69/h5-36H,37-44H2,1-4H3
InChIKeyVDELZTPOHDNPJS-UHFFFAOYSA-N
XLogP11.40
TPSA118.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.20
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone with MolForge

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Related Compounds

1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471
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CID 130430905
3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one
CID 132544265
2-benzyl-5-(4-methoxyphenyl)-4-methylsulfanyl-1H-2-benzazepin-3-one
CID 169084166
2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129071703
2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]acetic acid
CID 174188826
3-(4-isocyanophenyl)-7-[(4-methoxyphenyl)methyl]-5,8-dihydroimidazo[1,2-a]pyrazin-6-one
CID 177088600
methyl 2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-5-carboxylate
CID 58243740
(4R)-4-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7387770
7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 177261613
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298

Frequently Asked Questions

What is the IUPAC name of 3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone?
The IUPAC name of 3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone (CID 132575390) is 3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone.
What is the SMILES notation for 3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone?
The canonical SMILES for 3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone is COc1ccc(CN2Cc3ccc(cc3)C(=O)N(Cc3ccc(OC)cc3)Cc3ccc(cc3)C(=O)N(Cc3ccc(OC)cc3)Cc3ccc(cc3)C(=O)N(Cc3ccc(OC)cc3)Cc3ccc(cc3)C2=O)cc1.
What is the InChIKey of 3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone?
The InChIKey is VDELZTPOHDNPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H60N4O8/c1-73-57-29-13-49(14-30-57)41-65-37-45-5-23-54(24-6-45)62(70)67(43-51-17-33-59(75-3)34-18-51)39-47-9-27-56(28-10-47)64(72)68(44-52-19-35-60(76-4)36-20-52)40-48-11-25-55(26-12-48)63(71)66(42-50-15-31-58(74-2)32-16-50)38-46-7-21-53(22-8-46)61(65)69/h5-36H,37-44H2,1-4H3.
What are the key properties of 3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone?
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone has a molecular weight of 1013.20 g/mol, XLogP of 11.40, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone is sourced from PubChem (CID 132575390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).