9-Phenanthrenoselenocarboxamide

C15H10NSe — CID 6329602

IUPAC—
SMILES[H]/N=C(\[Se])c1cc2ccccc2c2ccccc12
InChIInChI=1S/C15H10NSe/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16H/b16-15-
InChIKeyWTOALKXUGDBGBG-NXVVXOECSA-N
MW283.21 g/mol
LogP3.49
Rot. Bonds1

About 9-Phenanthrenoselenocarboxamide

9-Phenanthrenoselenocarboxamide (PubChem CID 6329602) has the molecular formula C15H10NSe and a molecular weight of 283.21 g/mol.

Molecular Properties

Compound Name9-Phenanthrenoselenocarboxamide
PubChem CID6329602
Molecular FormulaC15H10NSe
Molecular Weight283.21 g/mol
Exact Mass284.00
IUPAC Name—
SMILES[H]/N=C(\[Se])c1cc2ccccc2c2ccccc12
InChIInChI=1S/C15H10NSe/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16H/b16-15-
InChIKeyWTOALKXUGDBGBG-NXVVXOECSA-N
XLogP3.49
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 13383371
CID 13383371
2,2-dichloro-1-phenanthren-9-ylethanone
CID 146007827
1-(4-phenanthren-9-ylphenyl)ethanimine
CID 163584495
tri(phenanthren-9-yl)arsane
CID 12755575
9-[(E)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl]phenanthrene
CID 154707500
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
phenanthren-9-ylboronic acid
CID 158011086
7-oxo-7-phenanthren-9-ylheptanoic acid
CID 24726938
naphtho[1,2-b]phenanthrene
CID 5889
phenanthren-9-amine
CID 13695
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830

Frequently Asked Questions

What is the IUPAC name of 9-Phenanthrenoselenocarboxamide?
The IUPAC name of 9-Phenanthrenoselenocarboxamide (CID 6329602) is not available.
What is the SMILES notation for 9-Phenanthrenoselenocarboxamide?
The canonical SMILES for 9-Phenanthrenoselenocarboxamide is [H]/N=C(\[Se])c1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-Phenanthrenoselenocarboxamide?
The InChIKey is WTOALKXUGDBGBG-NXVVXOECSA-N. The full InChI is InChI=1S/C15H10NSe/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16H/b16-15-.
What are the key properties of 9-Phenanthrenoselenocarboxamide?
9-Phenanthrenoselenocarboxamide has a molecular weight of 283.21 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-Phenanthrenoselenocarboxamide is sourced from PubChem (CID 6329602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).