14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol

C34H23NO — CID 11612339

IUPAC14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol
SMILESNc1c2c(c(O)c3c1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21
InChIInChI=1S/C34H23NO/c35-33-29-25-17-9-1-5-13-21(17)27(22-14-6-2-10-18(22)25)31(29)34(36)32-28-23-15-7-3-11-19(23)26(30(32)33)20-12-4-8-16-24(20)28/h1-16,25-28,36H,35H2
InChIKeyNPHBOZPPGJODKP-UHFFFAOYSA-N
MW461.56 g/mol
LogP6.95
Rot. Bonds

About 14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol

14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol (PubChem CID 11612339) has the molecular formula C34H23NO and a molecular weight of 461.56 g/mol. Its IUPAC name is 14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol.

Molecular Properties

Compound Name14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol
PubChem CID11612339
Molecular FormulaC34H23NO
Molecular Weight461.56 g/mol
Exact Mass461.18
IUPAC Name14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol
SMILESNc1c2c(c(O)c3c1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21
InChIInChI=1S/C34H23NO/c35-33-29-25-17-9-1-5-13-21(17)27(22-14-6-2-10-18(22)25)31(29)34(36)32-28-23-15-7-3-11-19(23)26(30(32)33)20-12-4-8-16-24(20)28/h1-16,25-28,36H,35H2
InChIKeyNPHBOZPPGJODKP-UHFFFAOYSA-N
XLogP6.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol?
The IUPAC name of 14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol (CID 11612339) is 14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol.
What is the SMILES notation for 14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol?
The canonical SMILES for 14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol is Nc1c2c(c(O)c3c1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.
What is the InChIKey of 14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol?
The InChIKey is NPHBOZPPGJODKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NO/c35-33-29-25-17-9-1-5-13-21(17)27(22-14-6-2-10-18(22)25)31(29)34(36)32-28-23-15-7-3-11-19(23)26(30(32)33)20-12-4-8-16-24(20)28/h1-16,25-28,36H,35H2.
What are the key properties of 14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol?
14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol has a molecular weight of 461.56 g/mol, XLogP of 6.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol is sourced from PubChem (CID 11612339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).