5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran

C38H22OS — CID 176742970

IUPAC5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cc5ccoc5c5c4sc4ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C38H22OS/c1-2-10-24-21-25(18-17-23(24)9-1)34-27-11-3-5-13-29(27)35(30-14-6-4-12-28(30)34)32-22-26-19-20-39-37(26)36-31-15-7-8-16-33(31)40-38(32)36/h1-22H
InChIKeyRRVYBAPJILBUCU-UHFFFAOYSA-N
MW526.66 g/mol
LogP11.59
Rot. Bonds2

About 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran

5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran (PubChem CID 176742970) has the molecular formula C38H22OS and a molecular weight of 526.66 g/mol. Its IUPAC name is 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran.

Molecular Properties

Compound Name5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
PubChem CID176742970
Molecular FormulaC38H22OS
Molecular Weight526.66 g/mol
Exact Mass526.14
IUPAC Name5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cc5ccoc5c5c4sc4ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C38H22OS/c1-2-10-24-21-25(18-17-23(24)9-1)34-27-11-3-5-13-29(27)35(30-14-6-4-12-28(30)34)32-22-26-19-20-39-37(26)36-31-15-7-8-16-33(31)40-38(32)36/h1-22H
InChIKeyRRVYBAPJILBUCU-UHFFFAOYSA-N
XLogP11.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.66
LogP ≤ 511.59
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-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[3,2-g][1]benzofuran
CID 176743521
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenyl-[1]benzothiolo[3,2-e][1]benzothiole
CID 176745912
12-(10-naphthalen-2-ylanthracen-9-yl)-3,14-dithiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene
CID 130190751
5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
CID 176744892
1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-phenyldibenzothiophene
CID 171449465
5-(10-naphthalen-2-ylanthracen-9-yl)-2-phenyl-[1]benzothiolo[2,3-e][1]benzothiole
CID 176742695
12,16-bis(10-phenylanthracen-9-yl)-10,18-dithiaheptacyclo[15.11.0.02,14.03,11.04,9.019,28.021,26]octacosa-1(17),2,4,6,8,11,13,15,19,21,23,25,27-tridecaene
CID 164817996
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzothiole
CID 122425735
14-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,23-dithiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
CID 130190818
8-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176745707
4-(10-naphthalen-2-ylanthracen-9-yl)-2-phenyl-[1]benzothiolo[2,3-e][1]benzofuran
CID 176744236
12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene
CID 130190607

Frequently Asked Questions

What is the IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran?
The IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran (CID 176742970) is 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran.
What is the SMILES notation for 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran?
The canonical SMILES for 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4cc5ccoc5c5c4sc4ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran?
The InChIKey is RRVYBAPJILBUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22OS/c1-2-10-24-21-25(18-17-23(24)9-1)34-27-11-3-5-13-29(27)35(30-14-6-4-12-28(30)34)32-22-26-19-20-39-37(26)36-31-15-7-8-16-33(31)40-38(32)36/h1-22H.
What are the key properties of 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran?
5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran has a molecular weight of 526.66 g/mol, XLogP of 11.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran is sourced from PubChem (CID 176742970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).