18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene

C58H34OS — CID 130185842

About 18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene

18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene (PubChem CID 130185842) has the molecular formula C58H34OS and a molecular weight of 778.98 g/mol. Its IUPAC name is 18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene.

Molecular Properties

• Compound Name: 18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene
• PubChem CID: 130185842
• Molecular Formula: C58H34OS
• Molecular Weight: 778.98 g/mol
• Exact Mass: 778.23
• IUPAC Name: 18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene
• SMILES: c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7c(oc8ccc9sc%10ccccc%10c9c87)c6c5)c5ccccc45)c4ccccc34)c2)cc1
• InChI: InChI=1S/C58H34OS/c1-2-13-35(14-3-1)37-15-12-16-39(33-37)54-43-19-6-8-21-45(43)55(46-22-9-7-20-44(46)54)47-30-29-40(41-17-4-5-18-42(41)47)38-26-25-36-27-28-49-56-51(59-58(49)50(36)34-38)31-32-53-57(56)48-23-10-11-24-52(48)60-53/h1-34H
• InChIKey: DKUAHAOHSPDZKO-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 13.14 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.98
LogP ≤ 5	17.23
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-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene?

The IUPAC name of 18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene (CID 130185842) is 18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene.

What is the SMILES notation for 18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene?

The canonical SMILES for 18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7c(oc8ccc9sc%10ccccc%10c9c87)c6c5)c5ccccc45)c4ccccc34)c2)cc1.

What is the InChIKey of 18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene?

The InChIKey is DKUAHAOHSPDZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34OS/c1-2-13-35(14-3-1)37-15-12-16-39(33-37)54-43-19-6-8-21-45(43)55(46-22-9-7-20-44(46)54)47-30-29-40(41-17-4-5-18-42(41)47)38-26-25-36-27-28-49-56-51(59-58(49)50(36)34-38)31-32-53-57(56)48-23-10-11-24-52(48)60-53/h1-34H.

What are the key properties of 18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene?

18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene has a molecular weight of 778.98 g/mol, XLogP of 17.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene is sourced from PubChem (CID 130185842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).