18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene

C52H32 — CID 123148312

About 18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene

18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene (PubChem CID 123148312) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene.

Molecular Properties

• Compound Name: 18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene
• PubChem CID: 123148312
• Molecular Formula: C52H32
• Molecular Weight: 656.83 g/mol
• Exact Mass: 656.25
• IUPAC Name: 18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene
• SMILES: c1ccc(C2=C(c3ccccc3)C(c3ccc4ccccc4c3)=C3C2=C(c2ccccc2)c2cc4c5ccccc5c5ccccc5c4cc23)cc1
• InChI: InChI=1S/C52H32/c1-4-17-34(18-5-1)47-45-31-43-41-26-14-12-24-39(41)40-25-13-15-27-42(40)44(43)32-46(45)51-50(38-29-28-33-16-10-11-23-37(33)30-38)48(35-19-6-2-7-20-35)49(52(47)51)36-21-8-3-9-22-36/h1-32H
• InChIKey: KMQZJUBOZQTZRB-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.83
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene?

The IUPAC name of 18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene (CID 123148312) is 18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene.

What is the SMILES notation for 18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene?

The canonical SMILES for 18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene is c1ccc(C2=C(c3ccccc3)C(c3ccc4ccccc4c3)=C3C2=C(c2ccccc2)c2cc4c5ccccc5c5ccccc5c4cc23)cc1.

What is the InChIKey of 18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene?

The InChIKey is KMQZJUBOZQTZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-4-17-34(18-5-1)47-45-31-43-41-26-14-12-24-39(41)40-25-13-15-27-42(40)44(43)32-46(45)51-50(38-29-28-33-16-10-11-23-37(33)30-38)48(35-19-6-2-7-20-35)49(52(47)51)36-21-8-3-9-22-36/h1-32H.

What are the key properties of 18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene?

18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene has a molecular weight of 656.83 g/mol, XLogP of 13.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 18-naphthalen-2-yl-19,20,22-triphenylhexacyclo[12.10.0.02,7.08,13.016,23.017,21]tetracosa-1(24),2,4,6,8,10,12,14,16(23),17,19,21-dodecaene is sourced from PubChem (CID 123148312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).