(9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene

C28H40N4O2 — CID 177439207

IUPAC(9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene
SMILESC/C1=N\OCCCCCNc2ccc(C)cc2/C(C)=N/OCCCCCNc2ccc(C)cc21
InChIInChI=1S/C28H40N4O2/c1-21-11-13-27-25(19-21)23(3)31-33-17-9-6-8-16-30-28-14-12-22(2)20-26(28)24(4)32-34-18-10-5-7-15-29-27/h11-14,19-20,29-30H,5-10,15-18H2,1-4H3/b31-23+,32-24+
InChIKeyNOFPKQAGLCMNAU-QBRCKEFASA-N
MW464.65 g/mol
LogP6.66
Rot. Bonds

About (9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene

(9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene (PubChem CID 177439207) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is (9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene.

Molecular Properties

Compound Name(9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene
PubChem CID177439207
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC Name(9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene
SMILESC/C1=N\OCCCCCNc2ccc(C)cc2/C(C)=N/OCCCCCNc2ccc(C)cc21
InChIInChI=1S/C28H40N4O2/c1-21-11-13-27-25(19-21)23(3)31-33-17-9-6-8-16-30-28-14-12-22(2)20-26(28)24(4)32-34-18-10-5-7-15-29-27/h11-14,19-20,29-30H,5-10,15-18H2,1-4H3/b31-23+,32-24+
InChIKeyNOFPKQAGLCMNAU-QBRCKEFASA-N
XLogP6.66
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene with MolForge

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Related Compounds

(9E,24E)-10,25-dimethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(30),9,11,13,15,24,26,28-octaene
CID 177394025
5-ethylidene-7-methyl-1,2,3,4-tetrahydro-1-benzazepine
CID 173494015
11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 11338105
8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen
CID 143099737
9-methyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d][1]benzazepine
CID 96610920
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 45098257
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
ethane;7-methyl-1,2,3,4-tetrahydroquinoline
CID 142224426
6-(2-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500792
N-(5,7-dimethyl-2,3-dihydro-1H-1-benzazepin-4-yl)propan-2-imine
CID 129208962
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822

Frequently Asked Questions

What is the IUPAC name of (9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene?
The IUPAC name of (9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene (CID 177439207) is (9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene.
What is the SMILES notation for (9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene?
The canonical SMILES for (9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene is C/C1=N\OCCCCCNc2ccc(C)cc2/C(C)=N/OCCCCCNc2ccc(C)cc21.
What is the InChIKey of (9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene?
The InChIKey is NOFPKQAGLCMNAU-QBRCKEFASA-N. The full InChI is InChI=1S/C28H40N4O2/c1-21-11-13-27-25(19-21)23(3)31-33-17-9-6-8-16-30-28-14-12-22(2)20-26(28)24(4)32-34-18-10-5-7-15-29-27/h11-14,19-20,29-30H,5-10,15-18H2,1-4H3/b31-23+,32-24+.
What are the key properties of (9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene?
(9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene has a molecular weight of 464.65 g/mol, XLogP of 6.66, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,24E)-10,13,25,28-tetramethyl-8,23-dioxa-2,9,17,24-tetrazatricyclo[24.4.0.011,16]triaconta-1(26),9,11(16),12,14,24,27,29-octaene is sourced from PubChem (CID 177439207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).