9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium

C42H26Y-2 — CID 164703599

IUPAC9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium
SMILES[Y].[c-]1ccc(-c2ccccc2)cc1-c1[c-]c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)ccc1
InChIInChI=1S/C42H26.Y/c1-2-12-29(13-3-1)32-16-10-17-33(26-32)34-18-11-19-35(28-34)41-37-20-6-8-22-39(37)42(40-23-9-7-21-38(40)41)36-25-24-30-14-4-5-15-31(30)27-36;/h1-16,18-27H;/q-2;
InChIKeyHSYVAAMOIMMXTI-UHFFFAOYSA-N
MW619.58 g/mol
LogP11.41
Rot. Bonds4

About 9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium

9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium (PubChem CID 164703599) has the molecular formula C42H26Y-2 and a molecular weight of 619.58 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium
PubChem CID164703599
Molecular FormulaC42H26Y-2
Molecular Weight619.58 g/mol
Exact Mass619.11
IUPAC Name9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium
SMILES[Y].[c-]1ccc(-c2ccccc2)cc1-c1[c-]c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)ccc1
InChIInChI=1S/C42H26.Y/c1-2-12-29(13-3-1)32-16-10-17-33(26-32)34-18-11-19-35(28-34)41-37-20-6-8-22-39(37)42(40-23-9-7-21-38(40)41)36-25-24-30-14-4-5-15-31(30)27-36;/h1-16,18-27H;/q-2;
InChIKeyHSYVAAMOIMMXTI-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-(3-phenylbenzene-2-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium
CID 164703600
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
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
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium
CID 164703595

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium?
The IUPAC name of 9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium (CID 164703599) is 9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium.
What is the SMILES notation for 9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium?
The canonical SMILES for 9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium is [Y].[c-]1ccc(-c2ccccc2)cc1-c1[c-]c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)ccc1.
What is the InChIKey of 9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium?
The InChIKey is HSYVAAMOIMMXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26.Y/c1-2-12-29(13-3-1)32-16-10-17-33(26-32)34-18-11-19-35(28-34)41-37-20-6-8-22-39(37)42(40-23-9-7-21-38(40)41)36-25-24-30-14-4-5-15-31(30)27-36;/h1-16,18-27H;/q-2;.
What are the key properties of 9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium?
9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-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-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium is sourced from PubChem (CID 164703599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).