(5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone

C30H34N6O4 — CID 172506847

IUPAC(5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone
SMILESC/C1=C\C=C(/C)CNC(=O)c2cccc(n2)C(=O)NC/C(C)=C/C=C(\C)CNC(=O)c2cccc(n2)C(=O)NC1
InChIInChI=1S/C30H34N6O4/c1-19-11-12-20(2)16-32-28(38)25-9-6-10-26(36-25)30(40)34-18-22(4)14-13-21(3)17-33-29(39)24-8-5-7-23(35-24)27(37)31-15-19/h5-14H,15-18H2,1-4H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/b19-11+,20-12+,21-13+,22-14+
InChIKeyPWUUSYBPQVBPRH-ACVQJTFVSA-N
MW542.64 g/mol
LogP2.89
Rot. Bonds

About (5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone

(5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone (PubChem CID 172506847) has the molecular formula C30H34N6O4 and a molecular weight of 542.64 g/mol. Its IUPAC name is (5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone.

Molecular Properties

Compound Name(5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone
PubChem CID172506847
Molecular FormulaC30H34N6O4
Molecular Weight542.64 g/mol
Exact Mass542.26
IUPAC Name(5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone
SMILESC/C1=C\C=C(/C)CNC(=O)c2cccc(n2)C(=O)NC/C(C)=C/C=C(\C)CNC(=O)c2cccc(n2)C(=O)NC1
InChIInChI=1S/C30H34N6O4/c1-19-11-12-20(2)16-32-28(38)25-9-6-10-26(36-25)30(40)34-18-22(4)14-13-21(3)17-33-29(39)24-8-5-7-23(35-24)27(37)31-15-19/h5-14H,15-18H2,1-4H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/b19-11+,20-12+,21-13+,22-14+
InChIKeyPWUUSYBPQVBPRH-ACVQJTFVSA-N
XLogP2.89
TPSA142.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.64
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,11,18,26,33,34-hexazatetracyclo[26.2.2.15,9.120,24]tetratriaconta-1(31),5,7,9(34),20(33),21,23,28(32),29-nonaene-4,10,19,25-tetrone
CID 58272049
3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone
CID 58271989
3,7,11,18,26,33-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-4,10,19,25-tetrone
CID 160779213
(14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone
CID 59538901
copper 3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
CID 139245973
15-methyl-3,11,22,30,45,52-hexazanonacyclo[30.6.6.613,20.15,9.124,28.014,19.033,38.039,44.046,51]dopentaconta-1(38),5(52),6,8,13,15,17,19,24,26,28(45),32,34,36,39,41,43,46,48,50-icosaene-4,10,23,29-tetrone
CID 89016818
7,23-dimethyl-3,7,11,19,23,27,33,34-octazatricyclo[27.3.1.113,17]tetratriaconta-1(33),13(34),14,16,29,31-hexaene-2,12,18,28-tetrone
CID 101488986
3,11,22,30,45-pentazanonacyclo[30.6.6.613,20.15,9.124,28.014,19.033,38.039,44.046,51]dopentaconta-1(38),5(52),6,8,13(51),14,16,18,20(46),24,26,28(45),32,34,36,39,41,43,47,49-icosaene-4,10,23,29-tetrone
CID 89016813
3,11,22,45,52-pentazanonacyclo[30.6.6.613,20.15,9.124,28.014,19.033,38.039,44.046,51]dopentaconta-1(38),5(52),6,8,13(51),14,16,18,20(46),24,26,28(45),32,34,36,39,41,43,47,49-icosaene-4,10,23,29-tetrone
CID 161455029
15-bromo-3,7,23,27-tetraoxa-11,19,33,34,35,37,38-heptazaheptacyclo[27.3.1.12,5.16,9.113,17.121,24.125,28]octatriaconta-1(33),2(38),4,6(37),8,13(36),14,16,21,24(35),25,28(34),29,31-tetradecaene-10,20-dione
CID 46221598
3,15-diazatricyclo[15.2.2.15,9]docosa-1(20),5,7,9(22),17(21),18-hexaene-4,14-dione;3,15,22-triazatricyclo[15.2.2.15,9]docosa-1(20),5,7,9(22),17(21),18-hexaene-4,14-dione
CID 160838422
(14Z)-6,9,12,17,20,23-hexaoxa-3,26,32-triazabicyclo[26.3.1]dotriaconta-1(32),14,28,30-tetraene-2,27-dione
CID 102236242

Frequently Asked Questions

What is the IUPAC name of (5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone?
The IUPAC name of (5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone (CID 172506847) is (5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone.
What is the SMILES notation for (5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone?
The canonical SMILES for (5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone is C/C1=C\C=C(/C)CNC(=O)c2cccc(n2)C(=O)NC/C(C)=C/C=C(\C)CNC(=O)c2cccc(n2)C(=O)NC1.
What is the InChIKey of (5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone?
The InChIKey is PWUUSYBPQVBPRH-ACVQJTFVSA-N. The full InChI is InChI=1S/C30H34N6O4/c1-19-11-12-20(2)16-32-28(38)25-9-6-10-26(36-25)30(40)34-18-22(4)14-13-21(3)17-33-29(39)24-8-5-7-23(35-24)27(37)31-15-19/h5-14H,15-18H2,1-4H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/b19-11+,20-12+,21-13+,22-14+.
What are the key properties of (5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone?
(5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone has a molecular weight of 542.64 g/mol, XLogP of 2.89, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone is sourced from PubChem (CID 172506847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).