7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole

C34H20S2 — CID 176744457

IUPAC7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3sc3ccc5ccsc5c34)c3ccccc23)cc1
InChIInChI=1S/C34H20S2/c1-2-9-21(10-3-1)30-23-11-4-6-13-25(23)31(26-14-7-5-12-24(26)30)27-15-8-16-28-32-29(36-34(27)28)18-17-22-19-20-35-33(22)32/h1-20H
InChIKeyCBWJQYHCYZWUDT-UHFFFAOYSA-N
MW492.67 g/mol
LogP10.91
Rot. Bonds2

About 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole

7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole (PubChem CID 176744457) has the molecular formula C34H20S2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole.

Molecular Properties

Compound Name7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole
PubChem CID176744457
Molecular FormulaC34H20S2
Molecular Weight492.67 g/mol
Exact Mass492.10
IUPAC Name7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3sc3ccc5ccsc5c34)c3ccccc23)cc1
InChIInChI=1S/C34H20S2/c1-2-9-21(10-3-1)30-23-11-4-6-13-25(23)31(26-14-7-5-12-24(26)30)27-15-8-16-28-32-29(36-34(27)28)18-17-22-19-20-35-33(22)32/h1-20H
InChIKeyCBWJQYHCYZWUDT-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[7,6-b][1]benzothiole
CID 176744116
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzothiophene
CID 166706115
8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzothiole
CID 122426590
7-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzothiole
CID 164972796
8-[10-(2-phenylphenanthren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzothiole
CID 139506386
4-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzothiole
CID 122426044
7-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzothiole
CID 164972797
1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;3-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 157305682
4-(9,10-diphenylanthracen-1-yl)dibenzothiophene
CID 58323324
1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene
CID 163477689
20-(10-phenylanthracen-9-yl)-23-thiahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(22),2(7),3,5,8,10,12,14,16,18,20-undecaene
CID 158596469
3-[10-(2-phenyl-[1]benzothiolo[2,3-g][1]benzothiol-7-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 174266264

Frequently Asked Questions

What is the IUPAC name of 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole?
The IUPAC name of 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole (CID 176744457) is 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole.
What is the SMILES notation for 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole?
The canonical SMILES for 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole is c1ccc(-c2c3ccccc3c(-c3cccc4c3sc3ccc5ccsc5c34)c3ccccc23)cc1.
What is the InChIKey of 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole?
The InChIKey is CBWJQYHCYZWUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20S2/c1-2-9-21(10-3-1)30-23-11-4-6-13-25(23)31(26-14-7-5-12-24(26)30)27-15-8-16-28-32-29(36-34(27)28)18-17-22-19-20-35-33(22)32/h1-20H.
What are the key properties of 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole?
7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole has a molecular weight of 492.67 g/mol, XLogP of 10.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzothiole is sourced from PubChem (CID 176744457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).