10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene

C41H28 — CID 158428779

IUPAC10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene
SMILES[2H]C([2H])([2H])c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c2c1
InChIInChI=1S/C41H28/c1-27-17-24-38-39(25-27)40(31-21-18-29(19-22-31)33-23-20-28-9-2-3-11-32(28)26-33)36-14-6-7-15-37(36)41(38)35-16-8-12-30-10-4-5-13-34(30)35/h2-26H,1H3/i1D3
InChIKeyLDFMIHDAYRLNSO-FIBGUPNXSA-N
MW523.69 g/mol
LogP11.61
Rot. Bonds4

About 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene

10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene (PubChem CID 158428779) has the molecular formula C41H28 and a molecular weight of 523.69 g/mol. Its IUPAC name is 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene.

Molecular Properties

Compound Name10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene
PubChem CID158428779
Molecular FormulaC41H28
Molecular Weight523.69 g/mol
Exact Mass523.24
IUPAC Name10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene
SMILES[2H]C([2H])([2H])c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c2c1
InChIInChI=1S/C41H28/c1-27-17-24-38-39(25-27)40(31-21-18-29(19-22-31)33-23-20-28-9-2-3-11-32(28)26-33)36-14-6-7-15-37(36)41(38)35-16-8-12-30-10-4-5-13-34(30)35/h2-26H,1H3/i1D3
InChIKeyLDFMIHDAYRLNSO-FIBGUPNXSA-N
XLogP11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.69
LogP ≤ 511.61
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

10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 140856123
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene
CID 157246826
2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene
CID 89225794
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene?
The IUPAC name of 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene (CID 158428779) is 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene.
What is the SMILES notation for 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene?
The canonical SMILES for 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene is [2H]C([2H])([2H])c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c2c1.
What is the InChIKey of 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene?
The InChIKey is LDFMIHDAYRLNSO-FIBGUPNXSA-N. The full InChI is InChI=1S/C41H28/c1-27-17-24-38-39(25-27)40(31-21-18-29(19-22-31)33-23-20-28-9-2-3-11-32(28)26-33)36-14-6-7-15-37(36)41(38)35-16-8-12-30-10-4-5-13-34(30)35/h2-26H,1H3/i1D3.
What are the key properties of 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene?
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene has a molecular weight of 523.69 g/mol, XLogP of 11.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene is sourced from PubChem (CID 158428779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).