9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene

C54H36 — CID 143848194

IUPAC9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene
SMILESC1=CC(c2ccc3ccccc3c2)Cc2ccc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c4ccccc34)cc21
InChIInChI=1S/C54H36/c1-3-11-37-29-39(19-17-35(37)9-1)41-21-23-45-33-47(27-25-43(45)31-41)53-49-13-5-7-15-51(49)54(52-16-8-6-14-50(52)53)48-28-26-44-32-42(22-24-46(44)34-48)40-20-18-36-10-2-4-12-38(36)30-40/h1-31,33-34,42H,32H2
InChIKeyREARHIYCSSJGCI-UHFFFAOYSA-N
MW684.88 g/mol
LogP14.81
Rot. Bonds4

About 9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene

9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene (PubChem CID 143848194) has the molecular formula C54H36 and a molecular weight of 684.88 g/mol. Its IUPAC name is 9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene
PubChem CID143848194
Molecular FormulaC54H36
Molecular Weight684.88 g/mol
Exact Mass684.28
IUPAC Name9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene
SMILESC1=CC(c2ccc3ccccc3c2)Cc2ccc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c4ccccc34)cc21
InChIInChI=1S/C54H36/c1-3-11-37-29-39(19-17-35(37)9-1)41-21-23-45-33-47(27-25-43(45)31-41)53-49-13-5-7-15-51(49)54(52-16-8-6-14-50(52)53)48-28-26-44-32-42(22-24-46(44)34-48)40-20-18-36-10-2-4-12-38(36)30-40/h1-31,33-34,42H,32H2
InChIKeyREARHIYCSSJGCI-UHFFFAOYSA-N
XLogP14.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 514.81
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

2-(1,2-dihydronaphthalen-2-yl)-6,10-dinaphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 59766313
9-[3-(6-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848226
10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene
CID 167515701
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 174256825
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197

Frequently Asked Questions

What is the IUPAC name of 9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene?
The IUPAC name of 9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene (CID 143848194) is 9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene.
What is the SMILES notation for 9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene?
The canonical SMILES for 9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene is C1=CC(c2ccc3ccccc3c2)Cc2ccc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c4ccccc34)cc21.
What is the InChIKey of 9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene?
The InChIKey is REARHIYCSSJGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36/c1-3-11-37-29-39(19-17-35(37)9-1)41-21-23-45-33-47(27-25-43(45)31-41)53-49-13-5-7-15-51(49)54(52-16-8-6-14-50(52)53)48-28-26-44-32-42(22-24-46(44)34-48)40-20-18-36-10-2-4-12-38(36)30-40/h1-31,33-34,42H,32H2.
What are the key properties of 9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene?
9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene has a molecular weight of 684.88 g/mol, XLogP of 14.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-naphthalen-2-yl-5,6-dihydronaphthalen-2-yl)-10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 143848194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).