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

C36H22Y-2 — CID 164703547

IUPAC9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]cccc1-c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C36H22.Y/c1-2-13-26(14-3-1)29-16-6-7-17-30(29)36-33-20-10-8-18-31(33)35(32-19-9-11-21-34(32)36)28-23-22-25-12-4-5-15-27(25)24-28;/h1-13,15,17-24H;/q-2;
InChIKeySNGYOJYNBKNDLO-UHFFFAOYSA-N
MW543.48 g/mol
LogP9.75
Rot. Bonds3

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

9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium (PubChem CID 164703547) has the molecular formula C36H22Y-2 and a molecular weight of 543.48 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium
PubChem CID164703547
Molecular FormulaC36H22Y-2
Molecular Weight543.48 g/mol
Exact Mass543.08
IUPAC Name9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]cccc1-c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C36H22.Y/c1-2-13-26(14-3-1)29-16-6-7-17-30(29)36-33-20-10-8-18-31(33)35(32-19-9-11-21-34(32)36)28-23-22-25-12-4-5-15-27(25)24-28;/h1-13,15,17-24H;/q-2;
InChIKeySNGYOJYNBKNDLO-UHFFFAOYSA-N
XLogP9.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.48
LogP ≤ 59.75
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-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium
CID 164703566
9-naphthalen-2-yl-10-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium
CID 153465421
9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium
CID 164703595
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
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
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438356
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
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

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium?
The IUPAC name of 9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium (CID 164703547) is 9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium.
What is the SMILES notation for 9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium?
The canonical SMILES for 9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium is [Y].[c-]1ccccc1-c1[c-]cccc1-c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.
What is the InChIKey of 9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium?
The InChIKey is SNGYOJYNBKNDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22.Y/c1-2-13-26(14-3-1)29-16-6-7-17-30(29)36-33-20-10-8-18-31(33)35(32-19-9-11-21-34(32)36)28-23-22-25-12-4-5-15-27(25)24-28;/h1-13,15,17-24H;/q-2;.
What are the key properties of 9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium?
9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium has a molecular weight of 543.48 g/mol, XLogP of 9.75, 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-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium is sourced from PubChem (CID 164703547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).