9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium

C42H26Y-2 — CID 164703595

IUPAC9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]cc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H26.Y/c1-2-10-29(11-3-1)31-18-23-33(24-19-31)41-37-14-6-8-16-39(37)42(40-17-9-7-15-38(40)41)34-25-20-32(21-26-34)36-27-22-30-12-4-5-13-35(30)28-36;/h1-10,12-18,20-28H;/q-2;
InChIKeyRNBNKXNVYDIGRM-UHFFFAOYSA-N
MW619.58 g/mol
LogP11.41
Rot. Bonds4

About 9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium

9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium (PubChem CID 164703595) has the molecular formula C42H26Y-2 and a molecular weight of 619.58 g/mol. Its IUPAC name is 9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium.

Molecular Properties

Compound Name9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium
PubChem CID164703595
Molecular FormulaC42H26Y-2
Molecular Weight619.58 g/mol
Exact Mass619.11
IUPAC Name9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]cc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H26.Y/c1-2-10-29(11-3-1)31-18-23-33(24-19-31)41-37-14-6-8-16-39(37)42(40-17-9-7-15-38(40)41)34-25-20-32(21-26-34)36-27-22-30-12-4-5-13-35(30)28-36;/h1-10,12-18,20-28H;/q-2;
InChIKeyRNBNKXNVYDIGRM-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-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium
CID 164703612
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-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-(2-phenylbenzene-3-id-1-yl)anthracene;yttrium
CID 164703547
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
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-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium?
The IUPAC name of 9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium (CID 164703595) is 9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium.
What is the SMILES notation for 9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium?
The canonical SMILES for 9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium is [Y].[c-]1ccccc1-c1[c-]cc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium?
The InChIKey is RNBNKXNVYDIGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26.Y/c1-2-10-29(11-3-1)31-18-23-33(24-19-31)41-37-14-6-8-16-39(37)42(40-17-9-7-15-38(40)41)34-25-20-32(21-26-34)36-27-22-30-12-4-5-13-35(30)28-36;/h1-10,12-18,20-28H;/q-2;.
What are the key properties of 9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium?
9-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-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-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium is sourced from PubChem (CID 164703595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).