2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran

C38H22OS — CID 176745251

IUPAC2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cc5c(ccc6oc7ccccc7c65)s4)c4ccccc34)ccc2c1
InChIInChI=1S/C38H22OS/c1-2-10-24-21-25(18-17-23(24)9-1)36-26-11-3-5-13-28(26)38(29-14-6-4-12-27(29)36)35-22-31-34(40-35)20-19-33-37(31)30-15-7-8-16-32(30)39-33/h1-22H
InChIKeyZBUMMLBEFAXKIB-UHFFFAOYSA-N
MW526.66 g/mol
LogP11.59
Rot. Bonds2

About 2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran

2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran (PubChem CID 176745251) has the molecular formula C38H22OS and a molecular weight of 526.66 g/mol. Its IUPAC name is 2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran.

Molecular Properties

Compound Name2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran
PubChem CID176745251
Molecular FormulaC38H22OS
Molecular Weight526.66 g/mol
Exact Mass526.14
IUPAC Name2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cc5c(ccc6oc7ccccc7c65)s4)c4ccccc34)ccc2c1
InChIInChI=1S/C38H22OS/c1-2-10-24-21-25(18-17-23(24)9-1)36-26-11-3-5-13-28(26)38(29-14-6-4-12-27(29)36)35-22-31-34(40-35)20-19-33-37(31)30-15-7-8-16-32(30)39-33/h1-22H
InChIKeyZBUMMLBEFAXKIB-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

19-(10-naphthalen-2-ylanthracen-9-yl)-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
CID 163718640
1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenyl-[1]benzothiolo[5,4-b][1]benzofuran
CID 176743747
10-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 154595990
6-(10-naphthalen-2-ylanthracen-9-yl)-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130212342
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122427327
4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 122415609
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
4-(10-naphthalen-2-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167187041
3-(10-naphtho[2,1-b][1]benzothiol-10-ylanthracen-9-yl)dibenzofuran
CID 122425780
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487561
15-(10-naphthalen-2-ylanthracen-9-yl)-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 130190089

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran?
The IUPAC name of 2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran (CID 176745251) is 2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran.
What is the SMILES notation for 2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran?
The canonical SMILES for 2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran is c1ccc2cc(-c3c4ccccc4c(-c4cc5c(ccc6oc7ccccc7c65)s4)c4ccccc34)ccc2c1.
What is the InChIKey of 2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran?
The InChIKey is ZBUMMLBEFAXKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22OS/c1-2-10-24-21-25(18-17-23(24)9-1)36-26-11-3-5-13-28(26)38(29-14-6-4-12-27(29)36)35-22-31-34(40-35)20-19-33-37(31)30-15-7-8-16-32(30)39-33/h1-22H.
What are the key properties of 2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran?
2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][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 2-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzothiolo[5,4-b][1]benzofuran is sourced from PubChem (CID 176745251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).