23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene

C43H33N — CID 131998258

IUPAC23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene
SMILESCN1CC23c4c5c6c7c8c4=C4CCC=8C8C=CC9C%10C=CC%11C%12=c%13c%14c(c-5c5c%13=C(CC%12)C(CCC42)C53C1)C6=C(C9C78)C%10C%14%11
InChIInChI=1S/C43H33N/c1-44-12-42-22-10-11-23-21-9-7-19-17-5-3-15-14-2-4-16-18-6-8-20(22)30-28(18)33-26(16)24(14)32-25(15)27(17)34-29(19)31(21)41(43(23,42)13-44)39-37(34)35(32)36(33)38(39)40(30)42/h2-5,14-17,22-27H,6-13H2,1H3
InChIKeyZYVHCTRWLHKXGA-UHFFFAOYSA-N
MW563.74 g/mol
LogP4.22
Rot. Bonds

About 23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene

23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene (PubChem CID 131998258) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is 23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene.

Molecular Properties

Compound Name23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene
PubChem CID131998258
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC Name23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene
SMILESCN1CC23c4c5c6c7c8c4=C4CCC=8C8C=CC9C%10C=CC%11C%12=c%13c%14c(c-5c5c%13=C(CC%12)C(CCC42)C53C1)C6=C(C9C78)C%10C%14%11
InChIInChI=1S/C43H33N/c1-44-12-42-22-10-11-23-21-9-7-19-17-5-3-15-14-2-4-16-18-6-8-20(22)30-28(18)33-26(16)24(14)32-25(15)27(17)34-29(19)31(21)41(43(23,42)13-44)39-37(34)35(32)36(33)38(39)40(30)42/h2-5,14-17,22-27H,6-13H2,1H3
InChIKeyZYVHCTRWLHKXGA-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.74
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene?
The IUPAC name of 23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene (CID 131998258) is 23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene.
What is the SMILES notation for 23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene?
The canonical SMILES for 23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene is CN1CC23c4c5c6c7c8c4=C4CCC=8C8C=CC9C%10C=CC%11C%12=c%13c%14c(c-5c5c%13=C(CC%12)C(CCC42)C53C1)C6=C(C9C78)C%10C%14%11.
What is the InChIKey of 23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene?
The InChIKey is ZYVHCTRWLHKXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-44-12-42-22-10-11-23-21-9-7-19-17-5-3-15-14-2-4-16-18-6-8-20(22)30-28(18)33-26(16)24(14)32-25(15)27(17)34-29(19)31(21)41(43(23,42)13-44)39-37(34)35(32)36(33)38(39)40(30)42/h2-5,14-17,22-27H,6-13H2,1H3.
What are the key properties of 23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene?
23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene has a molecular weight of 563.74 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 23-methyl-23-azaheptadecacyclo[30.10.1.02,31.05,30.06,28.09,27.010,25.013,21.014,19.017,40.018,38.020,36.021,25.026,35.029,34.033,37.039,43]tritetraconta-3,6(28),9(27),14(19),17,20(36),26(35),29(34),32,37,41-undecaene is sourced from PubChem (CID 131998258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).