9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene

C40H26 — CID 176726854

IUPAC9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene
SMILES[2H]c1cccc(-c2c3ccccc3c(-c3cccc4c(-c5ccc6ccccc6c5)cccc34)c3ccccc23)c1
InChIInChI=1S/C40H26/c1-2-13-28(14-3-1)39-35-16-6-8-18-37(35)40(38-19-9-7-17-36(38)39)34-23-11-21-32-31(20-10-22-33(32)34)30-25-24-27-12-4-5-15-29(27)26-30/h1-26H/i2D
InChIKeyCEAKSDJPFOXOFY-VMNATFBRSA-N
MW507.65 g/mol
LogP11.30
Rot. Bonds3

About 9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene

9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene (PubChem CID 176726854) has the molecular formula C40H26 and a molecular weight of 507.65 g/mol. Its IUPAC name is 9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene
PubChem CID176726854
Molecular FormulaC40H26
Molecular Weight507.65 g/mol
Exact Mass507.21
IUPAC Name9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene
SMILES[2H]c1cccc(-c2c3ccccc3c(-c3cccc4c(-c5ccc6ccccc6c5)cccc34)c3ccccc23)c1
InChIInChI=1S/C40H26/c1-2-13-28(14-3-1)39-35-16-6-8-18-37(35)40(38-19-9-7-17-36(38)39)34-23-11-21-32-31(20-10-22-33(32)34)30-25-24-27-12-4-5-15-29(27)26-30/h1-26H/i2D
InChIKeyCEAKSDJPFOXOFY-VMNATFBRSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.65
LogP ≤ 511.30
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-(3,4-dideuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene
CID 176726930
9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene
CID 59523732
9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 157304390
10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene
CID 58323203
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159304855
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 159008970
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 162156061
1-naphthalen-2-yl-6-[2-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracen-9-yl]pyrene
CID 171415202
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471

Frequently Asked Questions

What is the IUPAC name of 9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene (CID 176726854) is 9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene is [2H]c1cccc(-c2c3ccccc3c(-c3cccc4c(-c5ccc6ccccc6c5)cccc34)c3ccccc23)c1.
What is the InChIKey of 9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene?
The InChIKey is CEAKSDJPFOXOFY-VMNATFBRSA-N. The full InChI is InChI=1S/C40H26/c1-2-13-28(14-3-1)39-35-16-6-8-18-37(35)40(38-19-9-7-17-36(38)39)34-23-11-21-32-31(20-10-22-33(32)34)30-25-24-27-12-4-5-15-29(27)26-30/h1-26H/i2D.
What are the key properties of 9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene?
9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene has a molecular weight of 507.65 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 176726854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).