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

C34H20OS — CID 176745922

IUPAC9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4sc5ccc6ccoc6c5c4c3)c3ccccc23)cc1
InChIInChI=1S/C34H20OS/c1-2-8-21(9-3-1)31-24-10-4-6-12-26(24)32(27-13-7-5-11-25(27)31)23-15-16-29-28(20-23)33-30(36-29)17-14-22-18-19-35-34(22)33/h1-20H
InChIKeyFWPRARGQMLHDJZ-UHFFFAOYSA-N
MW476.60 g/mol
LogP10.44
Rot. Bonds2

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

9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran (PubChem CID 176745922) has the molecular formula C34H20OS and a molecular weight of 476.60 g/mol. Its IUPAC name is 9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran.

Molecular Properties

Compound Name9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
PubChem CID176745922
Molecular FormulaC34H20OS
Molecular Weight476.60 g/mol
Exact Mass476.12
IUPAC Name9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4sc5ccc6ccoc6c5c4c3)c3ccccc23)cc1
InChIInChI=1S/C34H20OS/c1-2-8-21(9-3-1)31-24-10-4-6-12-26(24)32(27-13-7-5-11-25(27)31)23-15-16-29-28(20-23)33-30(36-29)17-14-22-18-19-35-34(22)33/h1-20H
InChIKeyFWPRARGQMLHDJZ-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

8-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176745707
10-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzothiole
CID 122426548
8-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176743961
7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[3,2-g][1]benzofuran
CID 176743521
5-[3-(10-phenylanthracen-9-yl)phenyl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190837
5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190952
6-(10-phenylanthracen-9-yl)-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
CID 130212924
7-(10-dibenzothiophen-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176745382
2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 118503421
5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176742970
18-(10-phenylanthracen-9-yl)-22-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 130190380
19-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 153472144

Frequently Asked Questions

What is the IUPAC name of 9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran?
The IUPAC name of 9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran (CID 176745922) is 9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran.
What is the SMILES notation for 9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran?
The canonical SMILES for 9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4sc5ccc6ccoc6c5c4c3)c3ccccc23)cc1.
What is the InChIKey of 9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran?
The InChIKey is FWPRARGQMLHDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20OS/c1-2-8-21(9-3-1)31-24-10-4-6-12-26(24)32(27-13-7-5-11-25(27)31)23-15-16-29-28(20-23)33-30(36-29)17-14-22-18-19-35-34(22)33/h1-20H.
What are the key properties of 9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran?
9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][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 9-(10-phenylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran is sourced from PubChem (CID 176745922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).