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

C34H20OS — CID 176744391

IUPAC6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccsc6cc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C34H20OS/c1-2-8-21(9-3-1)33-24-10-4-6-12-26(24)34(27-13-7-5-11-25(27)33)23-14-15-30-28(18-23)29-20-32-22(16-17-36-32)19-31(29)35-30/h1-20H
InChIKeyRVRYYKVHKXMEGQ-UHFFFAOYSA-N
MW476.60 g/mol
LogP10.44
Rot. Bonds2

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

6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran (PubChem CID 176744391) has the molecular formula C34H20OS and a molecular weight of 476.60 g/mol. Its IUPAC name is 6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran.

Molecular Properties

Compound Name6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
PubChem CID176744391
Molecular FormulaC34H20OS
Molecular Weight476.60 g/mol
Exact Mass476.12
IUPAC Name6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccsc6cc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C34H20OS/c1-2-8-21(9-3-1)33-24-10-4-6-12-26(24)34(27-13-7-5-11-25(27)33)23-14-15-30-28(18-23)29-20-32-22(16-17-36-32)19-31(29)35-30/h1-20H
InChIKeyRVRYYKVHKXMEGQ-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

7-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran
CID 176746075
CID 165025337
CID 165025337
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
19-(10-phenylanthracen-9-yl)-23-oxahexacyclo[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 146460952
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
6-(10-naphthalen-1-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,6-b][1]benzofuran
CID 176743908
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
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
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
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067

Frequently Asked Questions

What is the IUPAC name of 6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran?
The IUPAC name of 6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran (CID 176744391) is 6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran.
What is the SMILES notation for 6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran?
The canonical SMILES for 6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4oc5cc6ccsc6cc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran?
The InChIKey is RVRYYKVHKXMEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20OS/c1-2-8-21(9-3-1)33-24-10-4-6-12-26(24)34(27-13-7-5-11-25(27)33)23-14-15-30-28(18-23)29-20-32-22(16-17-36-32)19-31(29)35-30/h1-20H.
What are the key properties of 6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran?
6-(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 6-(10-phenylanthracen-9-yl)-[1]benzothiolo[5,6-b][1]benzofuran is sourced from PubChem (CID 176744391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).