9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium

C38H24Y-2 — CID 164703612

IUPAC9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]cc(-c2c3ccccc3c(-c3cccc(-c4ccccc4)c3)c3ccccc23)cc1
InChIInChI=1S/C38H24.Y/c1-3-12-27(13-4-1)29-22-24-30(25-23-29)37-33-18-7-9-20-35(33)38(36-21-10-8-19-34(36)37)32-17-11-16-31(26-32)28-14-5-2-6-15-28;/h1-12,14-22,24-26H;/q-2;
InChIKeyNOMJHXGUUUWQAC-UHFFFAOYSA-N
MW569.52 g/mol
LogP10.26
Rot. Bonds4

About 9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium

9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium (PubChem CID 164703612) has the molecular formula C38H24Y-2 and a molecular weight of 569.52 g/mol. Its IUPAC name is 9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium.

Molecular Properties

Compound Name9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium
PubChem CID164703612
Molecular FormulaC38H24Y-2
Molecular Weight569.52 g/mol
Exact Mass569.09
IUPAC Name9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium
SMILES[Y].[c-]1ccccc1-c1[c-]cc(-c2c3ccccc3c(-c3cccc(-c4ccccc4)c3)c3ccccc23)cc1
InChIInChI=1S/C38H24.Y/c1-3-12-27(13-4-1)29-22-24-30(25-23-29)37-33-18-7-9-20-35(33)38(36-21-10-8-19-34(36)37)32-17-11-16-31(26-32)28-14-5-2-6-15-28;/h1-12,14-22,24-26H;/q-2;
InChIKeyNOMJHXGUUUWQAC-UHFFFAOYSA-N
XLogP10.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.52
LogP ≤ 510.26
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-(4-naphthalen-2-ylphenyl)-10-(4-phenylbenzene-5-id-1-yl)anthracene;yttrium
CID 164703595
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9-naphthalen-2-yl-10-[3-(3-phenylbenzene-6-id-1-yl)benzene-2-id-1-yl]anthracene;yttrium
CID 164703599
2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylbenzene-5-id-1-yl)-1,3,5-triazine;uranium(2+)
CID 163962459
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium?
The IUPAC name of 9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium (CID 164703612) is 9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium.
What is the SMILES notation for 9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium?
The canonical SMILES for 9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium is [Y].[c-]1ccccc1-c1[c-]cc(-c2c3ccccc3c(-c3cccc(-c4ccccc4)c3)c3ccccc23)cc1.
What is the InChIKey of 9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium?
The InChIKey is NOMJHXGUUUWQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24.Y/c1-3-12-27(13-4-1)29-22-24-30(25-23-29)37-33-18-7-9-20-35(33)38(36-21-10-8-19-34(36)37)32-17-11-16-31(26-32)28-14-5-2-6-15-28;/h1-12,14-22,24-26H;/q-2;.
What are the key properties of 9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium?
9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium has a molecular weight of 569.52 g/mol, XLogP of 10.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenylbenzene-5-id-1-yl)-10-(3-phenylphenyl)anthracene;yttrium is sourced from PubChem (CID 164703612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).