9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene

C60H38 — CID 140834610

About 9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene

9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene (PubChem CID 140834610) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene.

Molecular Properties

• Compound Name: 9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene
• PubChem CID: 140834610
• Molecular Formula: C60H38
• Molecular Weight: 758.96 g/mol
• Exact Mass: 758.30
• IUPAC Name: 9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene
• SMILES: C(=C/c1ccc(-c2c3ccccc3c(-c3c4ccccc4cc4ccccc34)c3ccccc23)c2ccccc12)\c1ccc(-c2cccc3ccccc23)c2ccccc12
• InChI: InChI=1S/C60H38/c1-4-20-44-39(16-1)19-15-31-50(44)52-36-34-40(45-21-7-9-25-49(45)52)32-33-41-35-37-57(51-26-10-8-22-46(41)51)58-53-27-11-13-29-55(53)60(56-30-14-12-28-54(56)58)59-47-23-5-2-17-42(47)38-43-18-3-6-24-48(43)59/h1-38H/b33-32+
• InChIKey: MDMYVVWIXQBDCT-ULIFNZDWSA-N
• XLogP: 16.93
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.96
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene?

The IUPAC name of 9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene (CID 140834610) is 9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene.

What is the SMILES notation for 9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene?

The canonical SMILES for 9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene is C(=C/c1ccc(-c2c3ccccc3c(-c3c4ccccc4cc4ccccc34)c3ccccc23)c2ccccc12)\c1ccc(-c2cccc3ccccc23)c2ccccc12.

What is the InChIKey of 9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene?

The InChIKey is MDMYVVWIXQBDCT-ULIFNZDWSA-N. The full InChI is InChI=1S/C60H38/c1-4-20-44-39(16-1)19-15-31-50(44)52-36-34-40(45-21-7-9-25-49(45)52)32-33-41-35-37-57(51-26-10-8-22-46(41)51)58-53-27-11-13-29-55(53)60(56-30-14-12-28-54(56)58)59-47-23-5-2-17-42(47)38-43-18-3-6-24-48(43)59/h1-38H/b33-32+.

What are the key properties of 9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene?

9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene has a molecular weight of 758.96 g/mol, XLogP of 16.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-anthracen-9-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene is sourced from PubChem (CID 140834610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).