18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

C56H32S2 — CID 163943562

About 18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene (PubChem CID 163943562) has the molecular formula C56H32S2 and a molecular weight of 769.01 g/mol. Its IUPAC name is 18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene.

Molecular Properties

• Compound Name: 18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
• PubChem CID: 163943562
• Molecular Formula: C56H32S2
• Molecular Weight: 769.01 g/mol
• Exact Mass: 768.19
• IUPAC Name: 18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7sc8cc9c(ccc%10sc%11ccccc%11c%109)cc8c7c6)ccc5c4)c4ccccc34)ccc2c1
• InChI: InChI=1S/C56H32S2/c1-2-10-34-28-40(21-17-33(34)9-1)54-42-11-3-5-13-44(42)55(45-14-6-4-12-43(45)54)41-22-20-35-27-36(18-19-37(35)29-41)38-23-25-51-48(30-38)49-31-39-24-26-52-56(47(39)32-53(49)58-51)46-15-7-8-16-50(46)57-52/h1-32H
• InChIKey: CZWGNCXRQAONJF-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.01
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?

The IUPAC name of 18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene (CID 163943562) is 18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene.

What is the SMILES notation for 18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?

The canonical SMILES for 18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene is c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6ccc7sc8cc9c(ccc%10sc%11ccccc%11c%109)cc8c7c6)ccc5c4)c4ccccc34)ccc2c1.

What is the InChIKey of 18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?

The InChIKey is CZWGNCXRQAONJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32S2/c1-2-10-34-28-40(21-17-33(34)9-1)54-42-11-3-5-13-44(42)55(45-14-6-4-12-43(45)54)41-22-20-35-27-36(18-19-37(35)29-41)38-23-25-51-48(30-38)49-31-39-24-26-52-56(47(39)32-53(49)58-51)46-15-7-8-16-50(46)57-52/h1-32H.

What are the key properties of 18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?

18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene has a molecular weight of 769.01 g/mol, XLogP of 17.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene is sourced from PubChem (CID 163943562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).