19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene

C32H16N2 — CID 13317120

IUPAC19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene
SMILESc1ccc2c(c1)cc1ccc3c4cnc5c6ccccc6cc6ccc(c7cnc2c1c37)c4c65
InChIInChI=1S/C32H16N2/c1-3-7-21-17(5-1)13-19-9-11-23-26-16-34-32-22-8-4-2-6-18(22)14-20-10-12-24(30(26)28(20)32)25-15-33-31(21)27(19)29(23)25/h1-16H
InChIKeyVHNLZFDEJWNFAI-UHFFFAOYSA-N
MW428.49 g/mol
LogP8.58
Rot. Bonds

About 19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene

19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene (PubChem CID 13317120) has the molecular formula C32H16N2 and a molecular weight of 428.49 g/mol. Its IUPAC name is 19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene.

Molecular Properties

Compound Name19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene
PubChem CID13317120
Molecular FormulaC32H16N2
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC Name19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene
SMILESc1ccc2c(c1)cc1ccc3c4cnc5c6ccccc6cc6ccc(c7cnc2c1c37)c4c65
InChIInChI=1S/C32H16N2/c1-3-7-21-17(5-1)13-19-9-11-23-26-16-34-32-22-8-4-2-6-18(22)14-20-10-12-24(30(26)28(20)32)25-15-33-31(21)27(19)29(23)25/h1-16H
InChIKeyVHNLZFDEJWNFAI-UHFFFAOYSA-N
XLogP8.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene?
The IUPAC name of 19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene (CID 13317120) is 19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene.
What is the SMILES notation for 19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene?
The canonical SMILES for 19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene is c1ccc2c(c1)cc1ccc3c4cnc5c6ccccc6cc6ccc(c7cnc2c1c37)c4c65.
What is the InChIKey of 19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene?
The InChIKey is VHNLZFDEJWNFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16N2/c1-3-7-21-17(5-1)13-19-9-11-23-26-16-34-32-22-8-4-2-6-18(22)14-20-10-12-24(30(26)28(20)32)25-15-33-31(21)27(19)29(23)25/h1-16H.
What are the key properties of 19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene?
19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene has a molecular weight of 428.49 g/mol, XLogP of 8.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19,33-diazanonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29,31,33-heptadecaene is sourced from PubChem (CID 13317120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).