1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene

C20H14 — CID 153473515

IUPAC1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3c([2H])c2c1[2H]
InChIInChI=1S/C20H14/c1-2-8-15(9-3-1)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H/i4D,5D,6D,7D,10D,11D,12D,13D,14D
InChIKeyLUBXLGUQZVKOFP-FKPZTAQHSA-N
MW263.39 g/mol
LogP5.66
Rot. Bonds1

About 1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene

1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene (PubChem CID 153473515) has the molecular formula C20H14 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene
PubChem CID153473515
Molecular FormulaC20H14
Molecular Weight263.39 g/mol
Exact Mass263.17
IUPAC Name1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3c([2H])c2c1[2H]
InChIInChI=1S/C20H14/c1-2-8-15(9-3-1)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H/i4D,5D,6D,7D,10D,11D,12D,13D,14D
InChIKeyLUBXLGUQZVKOFP-FKPZTAQHSA-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 ≤ 500263.39
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

1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,7,8,9,10-octadeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenanthren-3-yl]-10-phenylanthracene
CID 177089206
1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenanthren-3-ylanthracene
CID 155650649
9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracene
CID 153436434
9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 140926355
1,2,3,4,5,6,7,8-octadeuterio-9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 156624963
1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 156625068
1,2,3,4,6,8,9-heptadeuterio-7-[2,4,5,6,7,8-hexadeuterio-3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 166587485
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-[4-(10-phenylphenanthren-9-yl)phenyl]anthracene
CID 176646825
3-(1,2,3,4,5,6,7,8,10-nonadeuterioanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 177271229
1,2,3,4,5,6,8,9,10,11,12-undecadeuterio-7-[2-[3-(1,2,3,4,5,6,8,9,10,11,12-undecadeuteriobenzo[a]anthracen-7-yl)phenyl]phenyl]benzo[a]anthracene
CID 177072005
1,2,3,4,5,6,8,9,10,11,12-undecadeuterio-7-triphenylen-2-ylbenzo[a]anthracene
CID 177071805
6,7,8,9,10,11-hexadeuterio-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 176840874

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene?
The IUPAC name of 1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene (CID 153473515) is 1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene?
The canonical SMILES for 1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene is [2H]c1c([2H])c([2H])c2c(-c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3c([2H])c2c1[2H].
What is the InChIKey of 1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene?
The InChIKey is LUBXLGUQZVKOFP-FKPZTAQHSA-N. The full InChI is InChI=1S/C20H14/c1-2-8-15(9-3-1)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H/i4D,5D,6D,7D,10D,11D,12D,13D,14D.
What are the key properties of 1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene?
1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene has a molecular weight of 263.39 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 1,2,3,4,5,6,7,8,9-nonadeuterio-10-phenylanthracene is sourced from PubChem (CID 153473515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).