2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene

C47H36 — CID 72543257

About 2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene

2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene (PubChem CID 72543257) has the molecular formula C47H36 and a molecular weight of 600.81 g/mol. Its IUPAC name is 2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene.

Molecular Properties

• Compound Name: 2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene
• PubChem CID: 72543257
• Molecular Formula: C47H36
• Molecular Weight: 600.81 g/mol
• Exact Mass: 600.28
• IUPAC Name: 2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene
• SMILES: CC(C)(c1ccc(C=Cc2ccc3cc4ccccc4cc3c2)cc1)c1ccc(C=Cc2ccc3cc4ccccc4cc3c2)cc1
• InChI: InChI=1S/C47H36/c1-47(2,45-23-17-33(18-24-45)11-13-35-15-21-41-29-37-7-3-5-9-39(37)31-43(41)27-35)46-25-19-34(20-26-46)12-14-36-16-22-42-30-38-8-4-6-10-40(38)32-44(42)28-36/h3-32H,1-2H3
• InChIKey: GXVWNVPVPPSFSZ-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.81
LogP ≤ 5	12.97
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 2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene?

The IUPAC name of 2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene (CID 72543257) is 2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene.

What is the SMILES notation for 2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene?

The canonical SMILES for 2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene is CC(C)(c1ccc(C=Cc2ccc3cc4ccccc4cc3c2)cc1)c1ccc(C=Cc2ccc3cc4ccccc4cc3c2)cc1.

What is the InChIKey of 2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene?

The InChIKey is GXVWNVPVPPSFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36/c1-47(2,45-23-17-33(18-24-45)11-13-35-15-21-41-29-37-7-3-5-9-39(37)31-43(41)27-35)46-25-19-34(20-26-46)12-14-36-16-22-42-30-38-8-4-6-10-40(38)32-44(42)28-36/h3-32H,1-2H3.

What are the key properties of 2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene?

2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene has a molecular weight of 600.81 g/mol, XLogP of 12.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene is sourced from PubChem (CID 72543257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).