7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran

C34H20OS — CID 176746075

IUPAC7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc5ccsc5cc34)c3ccccc23)cc1
InChIInChI=1S/C34H20OS/c1-2-8-21(9-3-1)33-25-10-4-6-12-27(25)34(28-13-7-5-11-26(28)33)23-14-15-24-29-20-32-22(16-17-36-32)18-31(29)35-30(24)19-23/h1-20H
InChIKeyDECDIAYXBLWPAZ-UHFFFAOYSA-N
MW476.60 g/mol
LogP10.44
Rot. Bonds2

About 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran

7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran (PubChem CID 176746075) has the molecular formula C34H20OS and a molecular weight of 476.60 g/mol. Its IUPAC name is 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran.

Molecular Properties

Compound Name7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
PubChem CID176746075
Molecular FormulaC34H20OS
Molecular Weight476.60 g/mol
Exact Mass476.12
IUPAC Name7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc5ccsc5cc34)c3ccccc23)cc1
InChIInChI=1S/C34H20OS/c1-2-8-21(9-3-1)33-25-10-4-6-12-27(25)34(28-13-7-5-11-26(28)33)23-14-15-24-29-20-32-22(16-17-36-32)18-31(29)35-30(24)19-23/h1-20H
InChIKeyDECDIAYXBLWPAZ-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

6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
CID 176744391
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
7-(10-phenylanthracen-9-yl)-[1]benzothiolo[6,5-b][1]benzothiole
CID 176744739
7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 153303329
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415848
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
7-(10-deuterioanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 158079549
3-[10-(2,4,6-trideuterio-3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170662233
20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene
CID 163891654
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
CID 165025337
CID 165025337

Frequently Asked Questions

What is the IUPAC name of 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran?
The IUPAC name of 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran (CID 176746075) is 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran.
What is the SMILES notation for 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran?
The canonical SMILES for 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc5ccsc5cc34)c3ccccc23)cc1.
What is the InChIKey of 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran?
The InChIKey is DECDIAYXBLWPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20OS/c1-2-8-21(9-3-1)33-25-10-4-6-12-27(25)34(28-13-7-5-11-26(28)33)23-14-15-24-29-20-32-22(16-17-36-32)18-31(29)35-30(24)19-23/h1-20H.
What are the key properties of 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran?
7-(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 7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran is sourced from PubChem (CID 176746075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).