24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene

C32H18N4 — CID 149385143

IUPAC24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene
SMILESCc1cc2nc3c(nc2cc1C)=c1ccc2c4c(ccc=3c14)=c1nc3cc4ccccc4cc3nc1=2
InChIInChI=1S/C32H18N4/c1-15-11-23-24(12-16(15)2)34-30-20-8-10-22-28-21(9-7-19(27(20)28)29(30)33-23)31-32(22)36-26-14-18-6-4-3-5-17(18)13-25(26)35-31/h3-14H,1-2H3
InChIKeyYMKYAUBHWTXDKQ-UHFFFAOYSA-N
MW458.52 g/mol
LogP6.27
Rot. Bonds

About 24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene

24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene (PubChem CID 149385143) has the molecular formula C32H18N4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene.

Molecular Properties

Compound Name24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene
PubChem CID149385143
Molecular FormulaC32H18N4
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC Name24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene
SMILESCc1cc2nc3c(nc2cc1C)=c1ccc2c4c(ccc=3c14)=c1nc3cc4ccccc4cc3nc1=2
InChIInChI=1S/C32H18N4/c1-15-11-23-24(12-16(15)2)34-30-20-8-10-22-28-21(9-7-19(27(20)28)29(30)33-23)31-32(22)36-26-14-18-6-4-3-5-17(18)13-25(26)35-31/h3-14H,1-2H3
InChIKeyYMKYAUBHWTXDKQ-UHFFFAOYSA-N
XLogP6.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene with MolForge

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31,34-Diazanonacyclo[20.8.4.22,5.26,9.210,13.214,17.218,21.025,33.028,32]tetratetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43-docosaene
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29,32,35,38-Tetrazanonacyclo[18.8.4.46,15.22,5.216,19.023,31.026,30.09,37.012,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
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Frequently Asked Questions

What is the IUPAC name of 24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene?
The IUPAC name of 24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene (CID 149385143) is 24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene.
What is the SMILES notation for 24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene?
The canonical SMILES for 24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene is Cc1cc2nc3c(nc2cc1C)=c1ccc2c4c(ccc=3c14)=c1nc3cc4ccccc4cc3nc1=2.
What is the InChIKey of 24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene?
The InChIKey is YMKYAUBHWTXDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4/c1-15-11-23-24(12-16(15)2)34-30-20-8-10-22-28-21(9-7-19(27(20)28)29(30)33-23)31-32(22)36-26-14-18-6-4-3-5-17(18)13-25(26)35-31/h3-14H,1-2H3.
What are the key properties of 24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene?
24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene has a molecular weight of 458.52 g/mol, XLogP of 6.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24,25-dimethyl-3,14,21,28-tetrazanonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene is sourced from PubChem (CID 149385143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).