3-pentylphenanthridine

C18H19N — CID 159687285

IUPAC3-pentylphenanthridine
SMILESCCCCCc1ccc2c(c1)ncc1ccccc12
InChIInChI=1S/C18H19N/c1-2-3-4-7-14-10-11-17-16-9-6-5-8-15(16)13-19-18(17)12-14/h5-6,8-13H,2-4,7H2,1H3
InChIKeyMVYOGNCKVJVVQR-UHFFFAOYSA-N
MW249.36 g/mol
LogP5.12
Rot. Bonds4

About 3-pentylphenanthridine

3-pentylphenanthridine (PubChem CID 159687285) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-pentylphenanthridine.

Molecular Properties

Compound Name3-pentylphenanthridine
PubChem CID159687285
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name3-pentylphenanthridine
SMILESCCCCCc1ccc2c(c1)ncc1ccccc12
InChIInChI=1S/C18H19N/c1-2-3-4-7-14-10-11-17-16-9-6-5-8-15(16)13-19-18(17)12-14/h5-6,8-13H,2-4,7H2,1H3
InChIKeyMVYOGNCKVJVVQR-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-hexylacridine
CID 21394642
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CID 123838982
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2-(4-decylphenyl)-6-octylquinoxaline
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2-octylquinoxaline
CID 141276580
benzene;3-pentylisoquinoline
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2-tetradecylquinoxaline
CID 21024312
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
phenanthridine
CID 9189
2-dodecyl-9H-carbazole
CID 21248548
6-pentylnaphthalen-1-ol
CID 69480806

Frequently Asked Questions

What is the IUPAC name of 3-pentylphenanthridine?
The IUPAC name of 3-pentylphenanthridine (CID 159687285) is 3-pentylphenanthridine.
What is the SMILES notation for 3-pentylphenanthridine?
The canonical SMILES for 3-pentylphenanthridine is CCCCCc1ccc2c(c1)ncc1ccccc12.
What is the InChIKey of 3-pentylphenanthridine?
The InChIKey is MVYOGNCKVJVVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-3-4-7-14-10-11-17-16-9-6-5-8-15(16)13-19-18(17)12-14/h5-6,8-13H,2-4,7H2,1H3.
What are the key properties of 3-pentylphenanthridine?
3-pentylphenanthridine has a molecular weight of 249.36 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylphenanthridine is sourced from PubChem (CID 159687285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).