phenanthro[1,2-g][1]benzoselenole

C20H12Se — CID 162767555

IUPACphenanthro[1,2-g][1]benzoselenole
SMILESc1ccc2c(c1)ccc1c2ccc2c1ccc1cc[se]c12
InChIInChI=1S/C20H12Se/c1-2-4-15-13(3-1)5-7-17-16(15)9-10-19-18(17)8-6-14-11-12-21-20(14)19/h1-12H
InChIKeyRWMTUGLXSOQUFQ-UHFFFAOYSA-N
MW331.28 g/mol
LogP5.36
Rot. Bonds

About phenanthro[1,2-g][1]benzoselenole

phenanthro[1,2-g][1]benzoselenole (PubChem CID 162767555) has the molecular formula C20H12Se and a molecular weight of 331.28 g/mol. Its IUPAC name is phenanthro[1,2-g][1]benzoselenole.

Molecular Properties

Compound Namephenanthro[1,2-g][1]benzoselenole
PubChem CID162767555
Molecular FormulaC20H12Se
Molecular Weight331.28 g/mol
Exact Mass332.01
IUPAC Namephenanthro[1,2-g][1]benzoselenole
SMILESc1ccc2c(c1)ccc1c2ccc2c1ccc1cc[se]c12
InChIInChI=1S/C20H12Se/c1-2-4-15-13(3-1)5-7-17-16(15)9-10-19-18(17)8-6-14-11-12-21-20(14)19/h1-12H
InChIKeyRWMTUGLXSOQUFQ-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.28
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chrysene;iron
CID 157379031
ethene;picene
CID 175286520
12-selenapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59245745
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298
7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene
CID 59245802
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
benzo[c]phenanthrene;chrysene
CID 161372898
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
butane;chrysene;ethane
CID 143984277
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
phenanthrene;pyrene;triphenylene
CID 162115949

Frequently Asked Questions

What is the IUPAC name of phenanthro[1,2-g][1]benzoselenole?
The IUPAC name of phenanthro[1,2-g][1]benzoselenole (CID 162767555) is phenanthro[1,2-g][1]benzoselenole.
What is the SMILES notation for phenanthro[1,2-g][1]benzoselenole?
The canonical SMILES for phenanthro[1,2-g][1]benzoselenole is c1ccc2c(c1)ccc1c2ccc2c1ccc1cc[se]c12.
What is the InChIKey of phenanthro[1,2-g][1]benzoselenole?
The InChIKey is RWMTUGLXSOQUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Se/c1-2-4-15-13(3-1)5-7-17-16(15)9-10-19-18(17)8-6-14-11-12-21-20(14)19/h1-12H.
What are the key properties of phenanthro[1,2-g][1]benzoselenole?
phenanthro[1,2-g][1]benzoselenole has a molecular weight of 331.28 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthro[1,2-g][1]benzoselenole is sourced from PubChem (CID 162767555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).