9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium

C42H26Y-2 — CID 164703566

IUPAC9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]cccc1-c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C42H26.Y/c1-2-13-30(14-3-1)35-16-6-7-17-36(35)31-23-25-32(26-24-31)41-37-18-8-10-20-39(37)42(40-21-11-9-19-38(40)41)34-27-22-29-12-4-5-15-33(29)28-34;/h1-13,15,17-28H;/q-2;
InChIKeyQXIANBFHBOOZGW-UHFFFAOYSA-N
MW619.58 g/mol
LogP11.41
Rot. Bonds4

About 9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium

9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium (PubChem CID 164703566) has the molecular formula C42H26Y-2 and a molecular weight of 619.58 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium
PubChem CID164703566
Molecular FormulaC42H26Y-2
Molecular Weight619.58 g/mol
Exact Mass619.11
IUPAC Name9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]cccc1-c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C42H26.Y/c1-2-13-30(14-3-1)35-16-6-7-17-36(35)31-23-25-32(26-24-31)41-37-18-8-10-20-39(37)42(40-21-11-9-19-38(40)41)34-27-22-29-12-4-5-15-33(29)28-34;/h1-13,15,17-28H;/q-2;
InChIKeyQXIANBFHBOOZGW-UHFFFAOYSA-N
XLogP11.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.58
LogP ≤ 511.41
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-(3-phenyl-2H-naphthalen-2-id-1-yl)anthracene;yttrium
CID 153465421
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123334632
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832
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-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

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium?
The IUPAC name of 9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium (CID 164703566) is 9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium.
What is the SMILES notation for 9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium?
The canonical SMILES for 9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium is [Y].[c-]1ccccc1-c1[c-]cccc1-c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium?
The InChIKey is QXIANBFHBOOZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26.Y/c1-2-13-30(14-3-1)35-16-6-7-17-36(35)31-23-25-32(26-24-31)41-37-18-8-10-20-39(37)42(40-21-11-9-19-38(40)41)34-27-22-29-12-4-5-15-33(29)28-34;/h1-13,15,17-28H;/q-2;.
What are the key properties of 9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium?
9-naphthalen-2-yl-10-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium has a molecular weight of 619.58 g/mol, XLogP of 11.41, 4 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-[4-(2-phenylbenzene-3-id-1-yl)phenyl]anthracene;yttrium is sourced from PubChem (CID 164703566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).