(2-phenylanthracen-1-yl) hydrogen sulfite

C20H14O3S — CID 56982986

IUPAC(2-phenylanthracen-1-yl) hydrogen sulfite
SMILESO=S(O)Oc1c(-c2ccccc2)ccc2cc3ccccc3cc12
InChIInChI=1S/C20H14O3S/c21-24(22)23-20-18(14-6-2-1-3-7-14)11-10-17-12-15-8-4-5-9-16(15)13-19(17)20/h1-13H,(H,21,22)
InChIKeyNGPMABOJZYNKKM-UHFFFAOYSA-N
MW334.40 g/mol
LogP5.18
Rot. Bonds3

About (2-phenylanthracen-1-yl) hydrogen sulfite

(2-phenylanthracen-1-yl) hydrogen sulfite (PubChem CID 56982986) has the molecular formula C20H14O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is (2-phenylanthracen-1-yl) hydrogen sulfite.

Molecular Properties

Compound Name(2-phenylanthracen-1-yl) hydrogen sulfite
PubChem CID56982986
Molecular FormulaC20H14O3S
Molecular Weight334.40 g/mol
Exact Mass334.07
IUPAC Name(2-phenylanthracen-1-yl) hydrogen sulfite
SMILESO=S(O)Oc1c(-c2ccccc2)ccc2cc3ccccc3cc12
InChIInChI=1S/C20H14O3S/c21-24(22)23-20-18(14-6-2-1-3-7-14)11-10-17-12-15-8-4-5-9-16(15)13-19(17)20/h1-13H,(H,21,22)
InChIKeyNGPMABOJZYNKKM-UHFFFAOYSA-N
XLogP5.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.40
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-phenylanthracen-1-ol
CID 54315343
hydron;1-phenylanthracene
CID 174351162
1,2-diphenylpentacene
CID 22247158
1,4,8,11-tetraphenylpentacene
CID 102295223
1-(2-phenylphenyl)anthracene
CID 21435778
(2-hydroxynaphthalen-1-yl) hydrogen sulfite
CID 57100995
sodium;hydride;8-phenylnaphthalene-2-sulfinic acid
CID 173441375
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
2-deuterio-1-phenylanthracene
CID 162719950
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
1-(2-phenylanthracen-1-yl)triphenylene
CID 166545008
1,4-bis(2,4-diphenylphenyl)tetracene
CID 165170400

Frequently Asked Questions

What is the IUPAC name of (2-phenylanthracen-1-yl) hydrogen sulfite?
The IUPAC name of (2-phenylanthracen-1-yl) hydrogen sulfite (CID 56982986) is (2-phenylanthracen-1-yl) hydrogen sulfite.
What is the SMILES notation for (2-phenylanthracen-1-yl) hydrogen sulfite?
The canonical SMILES for (2-phenylanthracen-1-yl) hydrogen sulfite is O=S(O)Oc1c(-c2ccccc2)ccc2cc3ccccc3cc12.
What is the InChIKey of (2-phenylanthracen-1-yl) hydrogen sulfite?
The InChIKey is NGPMABOJZYNKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3S/c21-24(22)23-20-18(14-6-2-1-3-7-14)11-10-17-12-15-8-4-5-9-16(15)13-19(17)20/h1-13H,(H,21,22).
What are the key properties of (2-phenylanthracen-1-yl) hydrogen sulfite?
(2-phenylanthracen-1-yl) hydrogen sulfite has a molecular weight of 334.40 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylanthracen-1-yl) hydrogen sulfite is sourced from PubChem (CID 56982986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).