2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole

C92H54S2 — CID 134420415

About 2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole

2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole (PubChem CID 134420415) has the molecular formula C92H54S2 and a molecular weight of 1223.58 g/mol. Its IUPAC name is 2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole.

Molecular Properties

• Compound Name: 2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole
• PubChem CID: 134420415
• Molecular Formula: C92H54S2
• Molecular Weight: 1223.58 g/mol
• Exact Mass: 1222.37
• IUPAC Name: 2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole
• SMILES: c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5cc6c(-c7ccc8c(-c9cccc(-c%10c%11ccccc%11c(-c%11ccc%12sc%13cc%14ccccc%14cc%13c%12c%11)c%11ccccc%10%11)c9)cccc8c7)cccc6cc5c4c3)c3ccccc23)c1
• InChI: InChI=1S/C92H54S2/c1-2-18-56-45-60(38-37-55(56)17-1)57-21-13-25-65(46-57)89-72-27-5-9-31-76(72)92(77-32-10-6-28-73(77)89)68-41-44-86-82(52-68)84-50-63-24-16-36-70(80(63)54-88(84)94-86)64-39-42-71-61(47-64)23-15-35-69(71)62-22-14-26-66(48-62)90-74-29-7-11-33-78(74)91(79-34-12-8-30-75(79)90)67-40-43-85-81(51-67)83-49-58-19-3-4-20-59(58)53-87(83)93-85/h1-54H
• InChIKey: DTEMHWVJYVCHEO-UHFFFAOYSA-N
• XLogP: 27.32
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1223.58
LogP ≤ 5	27.32
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 2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole?

The IUPAC name of 2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole (CID 134420415) is 2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole.

What is the SMILES notation for 2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole?

The canonical SMILES for 2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5cc6c(-c7ccc8c(-c9cccc(-c%10c%11ccccc%11c(-c%11ccc%12sc%13cc%14ccccc%14cc%13c%12c%11)c%11ccccc%10%11)c9)cccc8c7)cccc6cc5c4c3)c3ccccc23)c1.

What is the InChIKey of 2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole?

The InChIKey is DTEMHWVJYVCHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54S2/c1-2-18-56-45-60(38-37-55(56)17-1)57-21-13-25-65(46-57)89-72-27-5-9-31-76(72)92(77-32-10-6-28-73(77)89)68-41-44-86-82(52-68)84-50-63-24-16-36-70(80(63)54-88(84)94-86)64-39-42-71-61(47-64)23-15-35-69(71)62-22-14-26-66(48-62)90-74-29-7-11-33-78(74)91(79-34-12-8-30-75(79)90)67-40-43-85-81(51-67)83-49-58-19-3-4-20-59(58)53-87(83)93-85/h1-54H.

What are the key properties of 2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole?

2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole has a molecular weight of 1223.58 g/mol, XLogP of 27.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-7-[5-[3-(10-naphtho[2,3-b][1]benzothiol-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]naphtho[2,3-b][1]benzothiole is sourced from PubChem (CID 134420415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).