10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene

C22H23N3O3 — CID 16731953

IUPAC10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene
SMILESCOc1ccc2cc(/C=C\CCCN=[N+]=[N-])c3cc(OC)c(OC)cc3c2c1
InChIInChI=1S/C22H23N3O3/c1-26-17-9-8-16-11-15(7-5-4-6-10-24-25-23)19-13-21(27-2)22(28-3)14-20(19)18(16)12-17/h5,7-9,11-14H,4,6,10H2,1-3H3/b7-5-
InChIKeyZYFOKNFOJXJQEK-ALCCZGGFSA-N
MW377.44 g/mol
LogP6.12
Rot. Bonds8

About 10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene

10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene (PubChem CID 16731953) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene.

Molecular Properties

Compound Name10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene
PubChem CID16731953
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene
SMILESCOc1ccc2cc(/C=C\CCCN=[N+]=[N-])c3cc(OC)c(OC)cc3c2c1
InChIInChI=1S/C22H23N3O3/c1-26-17-9-8-16-11-15(7-5-4-6-10-24-25-23)19-13-21(27-2)22(28-3)14-20(19)18(16)12-17/h5,7-9,11-14H,4,6,10H2,1-3H3/b7-5-
InChIKeyZYFOKNFOJXJQEK-ALCCZGGFSA-N
XLogP6.12
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene?
The IUPAC name of 10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene (CID 16731953) is 10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene.
What is the SMILES notation for 10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene?
The canonical SMILES for 10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene is COc1ccc2cc(/C=C\CCCN=[N+]=[N-])c3cc(OC)c(OC)cc3c2c1.
What is the InChIKey of 10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene?
The InChIKey is ZYFOKNFOJXJQEK-ALCCZGGFSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-26-17-9-8-16-11-15(7-5-4-6-10-24-25-23)19-13-21(27-2)22(28-3)14-20(19)18(16)12-17/h5,7-9,11-14H,4,6,10H2,1-3H3/b7-5-.
What are the key properties of 10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene?
10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene has a molecular weight of 377.44 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(Z)-5-azidopent-1-enyl]-2,3,6-trimethoxyphenanthrene is sourced from PubChem (CID 16731953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).