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

C34H20OS — CID 176744276

IUPAC4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cc4c5ccccc5oc4c4ccsc34)c3ccccc23)cc1
InChIInChI=1S/C34H20OS/c1-2-10-21(11-3-1)31-23-13-4-6-15-25(23)32(26-16-7-5-14-24(26)31)29-20-28-22-12-8-9-17-30(22)35-33(28)27-18-19-36-34(27)29/h1-20H
InChIKeyBJEALBGXMZADSL-UHFFFAOYSA-N
MW476.60 g/mol
LogP10.44
Rot. Bonds2

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

4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran (PubChem CID 176744276) 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[4,5-b][1]benzofuran.

Molecular Properties

Compound Name4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran
PubChem CID176744276
Molecular FormulaC34H20OS
Molecular Weight476.60 g/mol
Exact Mass476.12
IUPAC Name4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cc4c5ccccc5oc4c4ccsc34)c3ccccc23)cc1
InChIInChI=1S/C34H20OS/c1-2-10-21(11-3-1)31-23-13-4-6-15-25(23)32(26-16-7-5-14-24(26)31)29-20-28-22-12-8-9-17-30(22)35-33(28)27-18-19-36-34(27)29/h1-20H
InChIKeyBJEALBGXMZADSL-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

11-(10-phenylanthracen-9-yl)-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130212291
16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185420
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185356
16-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185277
5-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487627
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 122415610
4-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran
CID 176745684
11-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 130190049
4-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran
CID 174264550
12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene
CID 163540975
7,8,9,10-tetradeuterio-5-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 176840786
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794

Frequently Asked Questions

What is the IUPAC name of 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran?
The IUPAC name of 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran (CID 176744276) is 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran.
What is the SMILES notation for 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran?
The canonical SMILES for 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3cc4c5ccccc5oc4c4ccsc34)c3ccccc23)cc1.
What is the InChIKey of 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran?
The InChIKey is BJEALBGXMZADSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20OS/c1-2-10-21(11-3-1)31-23-13-4-6-15-25(23)32(26-16-7-5-14-24(26)31)29-20-28-22-12-8-9-17-30(22)35-33(28)27-18-19-36-34(27)29/h1-20H.
What are the key properties of 4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran?
4-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-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[4,5-b][1]benzofuran is sourced from PubChem (CID 176744276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).