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

C42H26Y-2 — CID 164703602

IUPAC9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]c(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3ccccc23)ccc1
InChIInChI=1S/C42H26.Y/c1-2-14-29(15-3-1)31-18-12-19-32(28-31)41-37-23-8-10-25-39(37)42(40-26-11-9-24-38(40)41)36-22-7-6-21-35(36)34-27-13-17-30-16-4-5-20-33(30)34;/h1-14,16-27H;/q-2;
InChIKeyAMWWBOCZDHTGOJ-UHFFFAOYSA-N
MW619.58 g/mol
LogP11.41
Rot. Bonds4

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

9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium (PubChem CID 164703602) has the molecular formula C42H26Y-2 and a molecular weight of 619.58 g/mol. Its IUPAC name is 9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium.

Molecular Properties

Compound Name9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium
PubChem CID164703602
Molecular FormulaC42H26Y-2
Molecular Weight619.58 g/mol
Exact Mass619.11
IUPAC Name9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]c(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3ccccc23)ccc1
InChIInChI=1S/C42H26.Y/c1-2-14-29(15-3-1)31-18-12-19-32(28-31)41-37-23-8-10-25-39(37)42(40-26-11-9-24-38(40)41)36-22-7-6-21-35(36)34-27-13-17-30-16-4-5-20-33(30)34;/h1-14,16-27H;/q-2;
InChIKeyAMWWBOCZDHTGOJ-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

9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
9-(3-phenylbenzene-2-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium
CID 164703600
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium
CID 164703547
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
1,10-dinaphthalen-1-ylanthracene
CID 58645117
9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 171447346
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 172698241
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408

Frequently Asked Questions

What is the IUPAC name of 9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium?
The IUPAC name of 9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium (CID 164703602) is 9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium.
What is the SMILES notation for 9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium?
The canonical SMILES for 9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium is [Y].[c-]1ccccc1-c1[c-]c(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3ccccc23)ccc1.
What is the InChIKey of 9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium?
The InChIKey is AMWWBOCZDHTGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26.Y/c1-2-14-29(15-3-1)31-18-12-19-32(28-31)41-37-23-8-10-25-39(37)42(40-26-11-9-24-38(40)41)36-22-7-6-21-35(36)34-27-13-17-30-16-4-5-20-33(30)34;/h1-14,16-27H;/q-2;.
What are the key properties of 9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium?
9-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)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-(2-naphthalen-1-ylphenyl)-10-(3-phenylbenzene-2-id-1-yl)anthracene;yttrium is sourced from PubChem (CID 164703602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).