9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium

C40H24Y-2 — CID 153465421

IUPAC9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc2c1
InChIInChI=1S/C40H24.Y/c1-2-12-27(13-3-1)32-25-30-16-6-7-17-33(30)38(26-32)40-36-20-10-8-18-34(36)39(35-19-9-11-21-37(35)40)31-23-22-28-14-4-5-15-29(28)24-31;/h1-12,14-25H;/q-2;
InChIKeyRJWYKIDJDKFREA-UHFFFAOYSA-N
MW593.54 g/mol
LogP10.90
Rot. Bonds3

About 9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium

9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium (PubChem CID 153465421) has the molecular formula C40H24Y-2 and a molecular weight of 593.54 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium
PubChem CID153465421
Molecular FormulaC40H24Y-2
Molecular Weight593.54 g/mol
Exact Mass593.09
IUPAC Name9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc2c1
InChIInChI=1S/C40H24.Y/c1-2-12-27(13-3-1)32-25-30-16-6-7-17-33(30)38(26-32)40-36-20-10-8-18-34(36)39(35-19-9-11-21-37(35)40)31-23-22-28-14-4-5-15-29(28)24-31;/h1-12,14-25H;/q-2;
InChIKeyRJWYKIDJDKFREA-UHFFFAOYSA-N
XLogP10.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.54
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium
CID 164703547
9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium
CID 164703595
9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium
CID 164703566
9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium
CID 164703599
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium
CID 164703612
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium?
The IUPAC name of 9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium (CID 153465421) is 9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium.
What is the SMILES notation for 9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium?
The canonical SMILES for 9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium is [Y].[c-]1ccccc1-c1[c-]c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc2c1.
What is the InChIKey of 9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium?
The InChIKey is RJWYKIDJDKFREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24.Y/c1-2-12-27(13-3-1)32-25-30-16-6-7-17-33(30)38(26-32)40-36-20-10-8-18-34(36)39(35-19-9-11-21-37(35)40)31-23-22-28-14-4-5-15-29(28)24-31;/h1-12,14-25H;/q-2;.
What are the key properties of 9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium?
9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium has a molecular weight of 593.54 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium is sourced from PubChem (CID 153465421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).