19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione

C34H15NO2 — CID 3085534

IUPAC19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione
SMILESO=c1c2ccccc2c2cc3[nH]c4cc5c6ccccc6c(=O)c6ccc7c8ccc1c2c8c3c4c7c65
InChIInChI=1S/C34H15NO2/c36-33-19-7-3-1-5-15(19)23-13-25-31-29-17(9-11-21(33)27(23)29)18-10-12-22-28-24(14-26(35-25)32(31)30(18)28)16-6-2-4-8-20(16)34(22)37/h1-14,35H
InChIKeyOPPGWOUKZOSIRE-UHFFFAOYSA-N
MW469.50 g/mol
LogP7.87
Rot. Bonds

About 19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione

19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione (PubChem CID 3085534) has the molecular formula C34H15NO2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione.

Molecular Properties

Compound Name19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione
PubChem CID3085534
Molecular FormulaC34H15NO2
Molecular Weight469.50 g/mol
Exact Mass469.11
IUPAC Name19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione
SMILESO=c1c2ccccc2c2cc3[nH]c4cc5c6ccccc6c(=O)c6ccc7c8ccc1c2c8c3c4c7c65
InChIInChI=1S/C34H15NO2/c36-33-19-7-3-1-5-15(19)23-13-25-31-29-17(9-11-21(33)27(23)29)18-10-12-22-28-24(14-26(35-25)32(31)30(18)28)16-6-2-4-8-20(16)34(22)37/h1-14,35H
InChIKeyOPPGWOUKZOSIRE-UHFFFAOYSA-N
XLogP7.87
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.50
LogP ≤ 57.87
H-Bond Donors ≤ 51
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-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione?
The IUPAC name of 19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione (CID 3085534) is 19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione.
What is the SMILES notation for 19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione?
The canonical SMILES for 19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione is O=c1c2ccccc2c2cc3[nH]c4cc5c6ccccc6c(=O)c6ccc7c8ccc1c2c8c3c4c7c65.
What is the InChIKey of 19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione?
The InChIKey is OPPGWOUKZOSIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H15NO2/c36-33-19-7-3-1-5-15(19)23-13-25-31-29-17(9-11-21(33)27(23)29)18-10-12-22-28-24(14-26(35-25)32(31)30(18)28)16-6-2-4-8-20(16)34(22)37/h1-14,35H.
What are the key properties of 19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione?
19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione has a molecular weight of 469.50 g/mol, XLogP of 7.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-azadecacyclo[20.11.1.14,8.02,20.03,18.05,33.010,15.023,28.030,34.016,35]pentatriaconta-1(33),2(20),3(18),4,6,8(35),10,12,14,16,21,23,25,27,30(34),31-hexadecaene-9,29-dione is sourced from PubChem (CID 3085534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).