2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate

C15H10BF4NO2Se — CID 134911669

IUPAC2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate
SMILESF[B-](F)(F)F.O=[N+]([O-])c1ccc(-c2ccc3ccccc3[se+]2)cc1
InChIInChI=1S/C15H10NO2Se.BF4/c17-16(18)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)19-15;2-1(3,4)5/h1-10H;/q+1;-1
InChIKeyMBMHEKDZTQIARH-UHFFFAOYSA-N
MW402.01 g/mol
LogP5.05
Rot. Bonds2

About 2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate

2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate (PubChem CID 134911669) has the molecular formula C15H10BF4NO2Se and a molecular weight of 402.01 g/mol. Its IUPAC name is 2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate.

Molecular Properties

Compound Name2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate
PubChem CID134911669
Molecular FormulaC15H10BF4NO2Se
Molecular Weight402.01 g/mol
Exact Mass402.99
IUPAC Name2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate
SMILESF[B-](F)(F)F.O=[N+]([O-])c1ccc(-c2ccc3ccccc3[se+]2)cc1
InChIInChI=1S/C15H10NO2Se.BF4/c17-16(18)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)19-15;2-1(3,4)5/h1-10H;/q+1;-1
InChIKeyMBMHEKDZTQIARH-UHFFFAOYSA-N
XLogP5.05
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.01
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-methyl-4-nitrobenzene tritetrafluoroborate
CID 175186870
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
2-(4-nitrophenyl)chromenylium perchlorate
CID 13045838
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
2-nitro-7-phenylanthracene
CID 54232737
10-methyl-9-(4-nitrophenyl)acridin-10-ium tetrafluoroborate
CID 164677656
magnesium;hydride;nitrobenzene
CID 173371093
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium
CID 101269925
1-nitro-4-phenylbenzene;sulfurochloridic acid
CID 23180093

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate?
The IUPAC name of 2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate (CID 134911669) is 2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate.
What is the SMILES notation for 2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate?
The canonical SMILES for 2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate is F[B-](F)(F)F.O=[N+]([O-])c1ccc(-c2ccc3ccccc3[se+]2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate?
The InChIKey is MBMHEKDZTQIARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10NO2Se.BF4/c17-16(18)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)19-15;2-1(3,4)5/h1-10H;/q+1;-1.
What are the key properties of 2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate?
2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate has a molecular weight of 402.01 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)selenochromen-1-ium tetrafluoroborate is sourced from PubChem (CID 134911669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).