1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene

C40H26 — CID 156625068

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4cc(-c5ccccc5)ccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4ccccc4c3)c2c1[2H]
InChIInChI=1S/C40H26/c1-2-10-27(11-3-1)30-19-20-32-26-34(23-21-31(32)24-30)40-37-16-8-6-14-35(37)39(36-15-7-9-17-38(36)40)33-22-18-28-12-4-5-13-29(28)25-33/h1-26H/i6D,7D,8D,9D,14D,15D,16D,17D
InChIKeyOROCOKACCCUHOW-MPTKUDDZSA-N
MW514.70 g/mol
LogP11.30
Rot. Bonds3

About 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene

1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene (PubChem CID 156625068) has the molecular formula C40H26 and a molecular weight of 514.70 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
PubChem CID156625068
Molecular FormulaC40H26
Molecular Weight514.70 g/mol
Exact Mass514.25
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4cc(-c5ccccc5)ccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4ccccc4c3)c2c1[2H]
InChIInChI=1S/C40H26/c1-2-10-27(11-3-1)30-19-20-32-26-34(23-21-31(32)24-30)40-37-16-8-6-14-35(37)39(36-15-7-9-17-38(36)40)33-22-18-28-12-4-5-13-29(28)25-33/h1-26H/i6D,7D,8D,9D,14D,15D,16D,17D
InChIKeyOROCOKACCCUHOW-MPTKUDDZSA-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 ≤ 500514.70
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-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 156624963
1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)anthracene
CID 167407292
1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-(3-phenylphenyl)anthracene
CID 155641581
1,2,3,4-tetradeuterio-6,9,10-trinaphthalen-2-ylanthracene
CID 58518603
2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]triphenylene
CID 162703120
9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracene
CID 58142215
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-(7-phenylphenanthren-2-yl)anthracene
CID 176646895
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
1,2,3,4-tetradeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 176786285
1,2,3,4,5,6,8-heptadeuterio-7,10-dinaphthalen-2-yl-9-(2-phenylphenyl)anthracene
CID 155641509
1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-2-yl-9-phenanthren-2-yl-10-phenylanthracene
CID 155641471
1,2,3,4,5,6,8-heptadeuterio-7-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-phenylphenyl)anthracene
CID 155641868

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene (CID 156625068) is 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene is [2H]c1c([2H])c([2H])c2c(-c3ccc4cc(-c5ccccc5)ccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc4ccccc4c3)c2c1[2H].
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene?
The InChIKey is OROCOKACCCUHOW-MPTKUDDZSA-N. The full InChI is InChI=1S/C40H26/c1-2-10-27(11-3-1)30-19-20-32-26-34(23-21-31(32)24-30)40-37-16-8-6-14-35(37)39(36-15-7-9-17-38(36)40)33-22-18-28-12-4-5-13-29(28)25-33/h1-26H/i6D,7D,8D,9D,14D,15D,16D,17D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene?
1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene has a molecular weight of 514.70 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 1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 156625068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).