2-deuterio-1-phenylanthracene

C20H14 — CID 162719950

IUPAC2-deuterio-1-phenylanthracene
SMILES[2H]c1ccc2cc3ccccc3cc2c1-c1ccccc1
InChIInChI=1S/C20H14/c1-2-7-15(8-3-1)19-12-6-11-18-13-16-9-4-5-10-17(16)14-20(18)19/h1-14H/i12D
InChIKeyBRSRUYVJULRMRQ-UQBWLURTSA-N
MW255.34 g/mol
LogP5.66
Rot. Bonds1

About 2-deuterio-1-phenylanthracene

2-deuterio-1-phenylanthracene (PubChem CID 162719950) has the molecular formula C20H14 and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-deuterio-1-phenylanthracene.

Molecular Properties

Compound Name2-deuterio-1-phenylanthracene
PubChem CID162719950
Molecular FormulaC20H14
Molecular Weight255.34 g/mol
Exact Mass255.12
IUPAC Name2-deuterio-1-phenylanthracene
SMILES[2H]c1ccc2cc3ccccc3cc2c1-c1ccccc1
InChIInChI=1S/C20H14/c1-2-7-15(8-3-1)19-12-6-11-18-13-16-9-4-5-10-17(16)14-20(18)19/h1-14H/i12D
InChIKeyBRSRUYVJULRMRQ-UQBWLURTSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.34
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylphenyl)anthracene
CID 21435778
hydron;1-phenylanthracene
CID 174351162
1-(2,3-diphenylphenyl)anthracene
CID 151584978
1,2-diphenylpentacene
CID 22247158
2-phenylanthracen-1-ol
CID 54315343
1,4,8,11-tetraphenylpentacene
CID 102295223
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
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-(4-bromophenyl)anthracene
CID 141156344
4-anthracen-1-ylaniline
CID 18974595
11-phenylbenzo[a]anthracene
CID 123665695
1,4-bis(2,4-diphenylphenyl)tetracene
CID 165170400

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-1-phenylanthracene?
The IUPAC name of 2-deuterio-1-phenylanthracene (CID 162719950) is 2-deuterio-1-phenylanthracene.
What is the SMILES notation for 2-deuterio-1-phenylanthracene?
The canonical SMILES for 2-deuterio-1-phenylanthracene is [2H]c1ccc2cc3ccccc3cc2c1-c1ccccc1.
What is the InChIKey of 2-deuterio-1-phenylanthracene?
The InChIKey is BRSRUYVJULRMRQ-UQBWLURTSA-N. The full InChI is InChI=1S/C20H14/c1-2-7-15(8-3-1)19-12-6-11-18-13-16-9-4-5-10-17(16)14-20(18)19/h1-14H/i12D.
What are the key properties of 2-deuterio-1-phenylanthracene?
2-deuterio-1-phenylanthracene has a molecular weight of 255.34 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-1-phenylanthracene is sourced from PubChem (CID 162719950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).