19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene

C52H30S2 — CID 130212993

About 19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene

19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene (PubChem CID 130212993) has the molecular formula C52H30S2 and a molecular weight of 718.95 g/mol. Its IUPAC name is 19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene.

Molecular Properties

• Compound Name: 19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
• PubChem CID: 130212993
• Molecular Formula: C52H30S2
• Molecular Weight: 718.95 g/mol
• Exact Mass: 718.18
• IUPAC Name: 19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
• SMILES: c1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5ccc6sc7c(ccc8ccc9sc%10ccccc%10c9c87)c6c5)c5ccccc45)cc3c2)cc1
• InChI: InChI=1S/C52H30S2/c1-2-10-31(11-3-1)34-20-18-32-19-21-35(29-37(32)28-34)48-38-12-4-6-14-40(38)49(41-15-7-5-13-39(41)48)36-24-26-46-44(30-36)42-25-22-33-23-27-47-51(50(33)52(42)54-46)43-16-8-9-17-45(43)53-47/h1-30H
• InChIKey: FJDLZRGUUOFHCI-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.95
LogP ≤ 5	16.04
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 19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene?

The IUPAC name of 19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene (CID 130212993) is 19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene.

What is the SMILES notation for 19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene?

The canonical SMILES for 19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene is c1ccc(-c2ccc3ccc(-c4c5ccccc5c(-c5ccc6sc7c(ccc8ccc9sc%10ccccc%10c9c87)c6c5)c5ccccc45)cc3c2)cc1.

What is the InChIKey of 19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene?

The InChIKey is FJDLZRGUUOFHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30S2/c1-2-10-31(11-3-1)34-20-18-32-19-21-35(29-37(32)28-34)48-38-12-4-6-14-40(38)49(41-15-7-5-13-39(41)48)36-24-26-46-44(30-36)42-25-22-33-23-27-47-51(50(33)52(42)54-46)43-16-8-9-17-45(43)53-47/h1-30H.

What are the key properties of 19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene?

19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene has a molecular weight of 718.95 g/mol, XLogP of 16.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene is sourced from PubChem (CID 130212993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).