6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid

C28H29N3O2Te — CID 158012173

IUPAC6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid
SMILESO=C(O)CCCCC/N=c1\cc2[te]c3c4c5c(cc3nc-2c2ccccc12)CCCN5CCC4
InChIInChI=1S/C28H29N3O2Te/c32-25(33)12-2-1-5-13-29-22-17-24-26(20-10-4-3-9-19(20)22)30-23-16-18-8-6-14-31-15-7-11-21(27(18)31)28(23)34-24/h3-4,9-10,16-17H,1-2,5-8,11-15H2,(H,32,33)/b29-22+
InChIKeyKUORDLJQBAMAQU-QUPMIFSKSA-N
MW567.16 g/mol
LogP4.79
Rot. Bonds6

About 6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid

6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid (PubChem CID 158012173) has the molecular formula C28H29N3O2Te and a molecular weight of 567.16 g/mol. Its IUPAC name is 6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid.

Molecular Properties

Compound Name6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid
PubChem CID158012173
Molecular FormulaC28H29N3O2Te
Molecular Weight567.16 g/mol
Exact Mass569.13
IUPAC Name6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid
SMILESO=C(O)CCCCC/N=c1\cc2[te]c3c4c5c(cc3nc-2c2ccccc12)CCCN5CCC4
InChIInChI=1S/C28H29N3O2Te/c32-25(33)12-2-1-5-13-29-22-17-24-26(20-10-4-3-9-19(20)22)30-23-16-18-8-6-14-31-15-7-11-21(27(18)31)28(23)34-24/h3-4,9-10,16-17H,1-2,5-8,11-15H2,(H,32,33)/b29-22+
InChIKeyKUORDLJQBAMAQU-QUPMIFSKSA-N
XLogP4.79
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.16
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid?
The IUPAC name of 6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid (CID 158012173) is 6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid.
What is the SMILES notation for 6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid?
The canonical SMILES for 6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid is O=C(O)CCCCC/N=c1\cc2[te]c3c4c5c(cc3nc-2c2ccccc12)CCCN5CCC4.
What is the InChIKey of 6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid?
The InChIKey is KUORDLJQBAMAQU-QUPMIFSKSA-N. The full InChI is InChI=1S/C28H29N3O2Te/c32-25(33)12-2-1-5-13-29-22-17-24-26(20-10-4-3-9-19(20)22)30-23-16-18-8-6-14-31-15-7-11-21(27(18)31)28(23)34-24/h3-4,9-10,16-17H,1-2,5-8,11-15H2,(H,32,33)/b29-22+.
What are the key properties of 6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid?
6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid has a molecular weight of 567.16 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tellura-14,21-diazahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-1(25),2(15),4,7,9,11,13,16-octaen-6-ylideneamino)hexanoic acid is sourced from PubChem (CID 158012173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).