4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran

C34H20OS — CID 176745306

IUPAC4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3c4sccc4cc4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C34H20OS/c1-2-10-21(11-3-1)30-23-12-4-6-14-25(23)31(26-15-7-5-13-24(26)30)33-32-27-16-8-9-17-28(27)35-29(32)20-22-18-19-36-34(22)33/h1-20H
InChIKeyLDNKZITYGUAQMG-UHFFFAOYSA-N
MW476.60 g/mol
LogP10.44
Rot. Bonds2

About 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran

4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran (PubChem CID 176745306) has the molecular formula C34H20OS and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran.

Molecular Properties

Compound Name4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
PubChem CID176745306
Molecular FormulaC34H20OS
Molecular Weight476.60 g/mol
Exact Mass476.12
IUPAC Name4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3c4sccc4cc4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C34H20OS/c1-2-10-21(11-3-1)30-23-12-4-6-14-25(23)31(26-15-7-5-13-24(26)30)33-32-27-16-8-9-17-28(27)35-29(32)20-22-18-19-36-34(22)33/h1-20H
InChIKeyLDNKZITYGUAQMG-UHFFFAOYSA-N
XLogP10.44
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 510.44
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

2-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 155312586
6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
CID 176744391
4-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran
CID 174264550
4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran
CID 176744276
7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
CID 176746075
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 130212286
2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 134164763
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
CID 122426906
3-[10-(1-benzothiophen-7-yl)-3-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 177094703
17-[10-([1]benzothiolo[2,3-g][1]benzothiol-9-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 174266166
1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 170249918

Frequently Asked Questions

What is the IUPAC name of 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran?
The IUPAC name of 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran (CID 176745306) is 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran.
What is the SMILES notation for 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran?
The canonical SMILES for 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3c4sccc4cc4oc5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran?
The InChIKey is LDNKZITYGUAQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20OS/c1-2-10-21(11-3-1)30-23-12-4-6-14-25(23)31(26-15-7-5-13-24(26)30)33-32-27-16-8-9-17-28(27)35-29(32)20-22-18-19-36-34(22)33/h1-20H.
What are the key properties of 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran?
4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran has a molecular weight of 476.60 g/mol, XLogP of 10.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran is sourced from PubChem (CID 176745306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).