6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene

C56H34S2 — CID 163521767

About 6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene

6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene (PubChem CID 163521767) has the molecular formula C56H34S2 and a molecular weight of 771.02 g/mol. Its IUPAC name is 6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
• PubChem CID: 163521767
• Molecular Formula: C56H34S2
• Molecular Weight: 771.02 g/mol
• Exact Mass: 770.21
• IUPAC Name: 6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
• SMILES: C1=C(c2ccc3c(c2)sc2c4ccccc4c4c5ccccc5sc4c32)CCc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc21
• InChI: InChI=1S/C56H34S2/c1-2-14-39-33(12-1)13-11-22-40(39)52-43-17-5-3-15-41(43)51(42-16-4-6-18-44(42)52)38-27-26-34-30-35(24-25-36(34)31-38)37-28-29-48-50(32-37)58-55-46-20-8-7-19-45(46)53-47-21-9-10-23-49(47)57-56(53)54(48)55/h1-23,26-32H,24-25H2
• InChIKey: BXSVPDLSAGYJEQ-UHFFFAOYSA-N
• XLogP: 16.86
• 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	771.02
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene?

The IUPAC name of 6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene (CID 163521767) is 6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene?

The canonical SMILES for 6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene is C1=C(c2ccc3c(c2)sc2c4ccccc4c4c5ccccc5sc4c32)CCc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc21.

What is the InChIKey of 6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene?

The InChIKey is BXSVPDLSAGYJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34S2/c1-2-14-39-33(12-1)13-11-22-40(39)52-43-17-5-3-15-41(43)51(42-16-4-6-18-44(42)52)38-27-26-34-30-35(24-25-36(34)31-38)37-28-29-48-50(32-37)58-55-46-20-8-7-19-45(46)53-47-21-9-10-23-49(47)57-56(53)54(48)55/h1-23,26-32H,24-25H2.

What are the key properties of 6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene?

6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene has a molecular weight of 771.02 g/mol, XLogP of 16.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(10-naphthalen-1-ylanthracen-9-yl)-3,4-dihydronaphthalen-2-yl]-9,24-dithiahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 163521767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).