9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene

C46H32 — CID 143254486

IUPAC9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene
SMILESC1=CC2=C(c3ccc(-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc45)cc3)C=CCC2C=C1
InChIInChI=1S/C46H32/c1-2-13-35-29-37(28-23-31(35)11-1)36-15-9-16-38(30-36)46-43-20-7-5-18-41(43)45(42-19-6-8-21-44(42)46)34-26-24-33(25-27-34)40-22-10-14-32-12-3-4-17-39(32)40/h1-13,15-30,32H,14H2
InChIKeyYJPQVWFILNZHJA-UHFFFAOYSA-N
MW584.76 g/mol
LogP12.60
Rot. Bonds4

About 9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene

9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene (PubChem CID 143254486) has the molecular formula C46H32 and a molecular weight of 584.76 g/mol. Its IUPAC name is 9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene
PubChem CID143254486
Molecular FormulaC46H32
Molecular Weight584.76 g/mol
Exact Mass584.25
IUPAC Name9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene
SMILESC1=CC2=C(c3ccc(-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc45)cc3)C=CCC2C=C1
InChIInChI=1S/C46H32/c1-2-13-35-29-37(28-23-31(35)11-1)36-15-9-16-38(30-36)46-43-20-7-5-18-41(43)45(42-19-6-8-21-44(42)46)34-26-24-33(25-27-34)40-22-10-14-32-12-3-4-17-39(32)40/h1-13,15-30,32H,14H2
InChIKeyYJPQVWFILNZHJA-UHFFFAOYSA-N
XLogP12.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.76
LogP ≤ 512.60
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

9-[3-(6-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848226
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
14-(4,4a-dihydronaphthalen-1-yl)-10,10-dimethyl-7-phenyl-21-(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 91355521
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene (CID 143254486) is 9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene is C1=CC2=C(c3ccc(-c4c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c5ccccc45)cc3)C=CCC2C=C1.
What is the InChIKey of 9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene?
The InChIKey is YJPQVWFILNZHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32/c1-2-13-35-29-37(28-23-31(35)11-1)36-15-9-16-38(30-36)46-43-20-7-5-18-41(43)45(42-19-6-8-21-44(42)46)34-26-24-33(25-27-34)40-22-10-14-32-12-3-4-17-39(32)40/h1-13,15-30,32H,14H2.
What are the key properties of 9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene?
9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene has a molecular weight of 584.76 g/mol, XLogP of 12.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,4a-dihydronaphthalen-1-yl)phenyl]-10-(3-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 143254486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).