16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

C58H32OS2 — CID 130185941

About 16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (PubChem CID 130185941) has the molecular formula C58H32OS2 and a molecular weight of 809.03 g/mol. Its IUPAC name is 16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
• PubChem CID: 130185941
• Molecular Formula: C58H32OS2
• Molecular Weight: 809.03 g/mol
• Exact Mass: 808.19
• IUPAC Name: 16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
• SMILES: c1ccc2c(-c3c4ccccc4c(-c4ccc5sc6c(-c7c8ccccc8cc8c7oc7ccc9sc%10ccccc%10c9c78)cccc6c5c4)c4ccccc34)cccc2c1
• InChI: InChI=1S/C58H32OS2/c1-3-16-36-33(13-1)15-11-23-38(36)53-41-20-7-5-18-39(41)52(40-19-6-8-21-42(40)53)35-27-29-50-46(32-35)43-24-12-25-45(58(43)61-50)54-37-17-4-2-14-34(37)31-47-55-48(59-57(47)54)28-30-51-56(55)44-22-9-10-26-49(44)60-51/h1-32H
• InChIKey: SLWUHORLMSVXRW-UHFFFAOYSA-N
• XLogP: 17.94
• TPSA: 13.14 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.03
LogP ≤ 5	17.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The IUPAC name of 16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (CID 130185941) is 16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.

What is the SMILES notation for 16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The canonical SMILES for 16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is c1ccc2c(-c3c4ccccc4c(-c4ccc5sc6c(-c7c8ccccc8cc8c7oc7ccc9sc%10ccccc%10c9c78)cccc6c5c4)c4ccccc34)cccc2c1.

What is the InChIKey of 16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The InChIKey is SLWUHORLMSVXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H32OS2/c1-3-16-36-33(13-1)15-11-23-38(36)53-41-20-7-5-18-39(41)52(40-19-6-8-21-42(40)53)35-27-29-50-46(32-35)43-24-12-25-45(58(43)61-50)54-37-17-4-2-14-34(37)31-47-55-48(59-57(47)54)28-30-51-56(55)44-22-9-10-26-49(44)60-51/h1-32H.

What are the key properties of 16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene has a molecular weight of 809.03 g/mol, XLogP of 17.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[8-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophen-4-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is sourced from PubChem (CID 130185941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).