2-phenyl-1H-anthracen-1-ylium

C20H13+ — CID 154442136

IUPAC2-phenyl-1H-anthracen-1-ylium
SMILES[C+]1=C(c2ccccc2)C=Cc2cc3ccccc3cc21
InChIInChI=1S/C20H13/c1-2-6-15(7-3-1)18-10-11-19-12-16-8-4-5-9-17(16)13-20(19)14-18/h1-13H/q+1
InChIKeyFSRFGWGJKJUAET-UHFFFAOYSA-N
MW253.32 g/mol
LogP5.10
Rot. Bonds1

About 2-phenyl-1H-anthracen-1-ylium

2-phenyl-1H-anthracen-1-ylium (PubChem CID 154442136) has the molecular formula C20H13+ and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-phenyl-1H-anthracen-1-ylium.

Molecular Properties

Compound Name2-phenyl-1H-anthracen-1-ylium
PubChem CID154442136
Molecular FormulaC20H13+
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Name2-phenyl-1H-anthracen-1-ylium
SMILES[C+]1=C(c2ccccc2)C=Cc2cc3ccccc3cc21
InChIInChI=1S/C20H13/c1-2-6-15(7-3-1)18-10-11-19-12-16-8-4-5-9-17(16)13-20(19)14-18/h1-13H/q+1
InChIKeyFSRFGWGJKJUAET-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.32
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 172725087
CID 172725087
anthracene;benzene;naphthalene
CID 142706236
2-azanidapentacyclo[13.8.0.03,12.05,10.017,22]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene;yttrium
CID 155760519
3-methylidenecyclopenta[b]naphthalene
CID 12699885
(8Z)-pentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 177396805
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;vanadium
CID 173418141
CID 158474185
CID 158474185
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
1,1'-biphenyl;ethane;naphthalene
CID 160802649

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-anthracen-1-ylium?
The IUPAC name of 2-phenyl-1H-anthracen-1-ylium (CID 154442136) is 2-phenyl-1H-anthracen-1-ylium.
What is the SMILES notation for 2-phenyl-1H-anthracen-1-ylium?
The canonical SMILES for 2-phenyl-1H-anthracen-1-ylium is [C+]1=C(c2ccccc2)C=Cc2cc3ccccc3cc21.
What is the InChIKey of 2-phenyl-1H-anthracen-1-ylium?
The InChIKey is FSRFGWGJKJUAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13/c1-2-6-15(7-3-1)18-10-11-19-12-16-8-4-5-9-17(16)13-20(19)14-18/h1-13H/q+1.
What are the key properties of 2-phenyl-1H-anthracen-1-ylium?
2-phenyl-1H-anthracen-1-ylium has a molecular weight of 253.32 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-anthracen-1-ylium is sourced from PubChem (CID 154442136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).