17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene

C26H14N2OPo — CID 142562389

IUPAC17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene
SMILESc1cnc2c(c1)ccc1ccc3c(c12)[Po]c1c(ccc2ccc4cccnc4c12)O3
InChIInChI=1S/C26H14N2O.Po/c1-3-19-7-5-17-9-11-21(15-23(17)25(19)27-13-1)29-22-12-10-18-6-8-20-4-2-14-28-26(20)24(18)16-22;/h1-14H;
InChIKeyVUYKMDGSJNZCBN-UHFFFAOYSA-N
MW579.41 g/mol
LogP4.85
Rot. Bonds

About 17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene

17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene (PubChem CID 142562389) has the molecular formula C26H14N2OPo and a molecular weight of 579.41 g/mol. Its IUPAC name is 17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene.

Molecular Properties

Compound Name17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene
PubChem CID142562389
Molecular FormulaC26H14N2OPo
Molecular Weight579.41 g/mol
Exact Mass579.09
IUPAC Name17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene
SMILESc1cnc2c(c1)ccc1ccc3c(c12)[Po]c1c(ccc2ccc4cccnc4c12)O3
InChIInChI=1S/C26H14N2O.Po/c1-3-19-7-5-17-9-11-21(15-23(17)25(19)27-13-1)29-22-12-10-18-6-8-20-4-2-14-28-26(20)24(18)16-22;/h1-14H;
InChIKeyVUYKMDGSJNZCBN-UHFFFAOYSA-N
XLogP4.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene?
The IUPAC name of 17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene (CID 142562389) is 17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene.
What is the SMILES notation for 17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene?
The canonical SMILES for 17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene is c1cnc2c(c1)ccc1ccc3c(c12)[Po]c1c(ccc2ccc4cccnc4c12)O3.
What is the InChIKey of 17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene?
The InChIKey is VUYKMDGSJNZCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N2O.Po/c1-3-19-7-5-17-9-11-21(15-23(17)25(19)27-13-1)29-22-12-10-18-6-8-20-4-2-14-28-26(20)24(18)16-22;/h1-14H;.
What are the key properties of 17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene?
17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene has a molecular weight of 579.41 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-oxa-2λ2-polona-6,28-diazaheptacyclo[16.12.0.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene is sourced from PubChem (CID 142562389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).