7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran

C50H30OS — CID 176746291

IUPAC7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran
SMILESc1ccc(-c2sc3ccc4oc5c(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cccc5c4c3c2-c2ccccc2)cc1
InChIInChI=1S/C50H30OS/c1-3-15-32(16-4-1)45-48-43(52-50(45)33-17-5-2-6-18-33)29-28-42-47(48)41-25-13-24-40(49(41)51-42)46-38-22-11-9-20-36(38)44(37-21-10-12-23-39(37)46)35-27-26-31-14-7-8-19-34(31)30-35/h1-30H
InChIKeySEYBDTUUWLOBQP-UHFFFAOYSA-N
MW678.86 g/mol
LogP14.93
Rot. Bonds4

About 7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran

7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran (PubChem CID 176746291) has the molecular formula C50H30OS and a molecular weight of 678.86 g/mol. Its IUPAC name is 7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran.

Molecular Properties

Compound Name7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran
PubChem CID176746291
Molecular FormulaC50H30OS
Molecular Weight678.86 g/mol
Exact Mass678.20
IUPAC Name7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran
SMILESc1ccc(-c2sc3ccc4oc5c(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cccc5c4c3c2-c2ccccc2)cc1
InChIInChI=1S/C50H30OS/c1-3-15-32(16-4-1)45-48-43(52-50(45)33-17-5-2-6-18-33)29-28-42-47(48)41-25-13-24-40(49(41)51-42)46-38-22-11-9-20-36(38)44(37-21-10-12-23-39(37)46)35-27-26-31-14-7-8-19-34(31)30-35/h1-30H
InChIKeySEYBDTUUWLOBQP-UHFFFAOYSA-N
XLogP14.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.86
LogP ≤ 514.93
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

1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenyl-[1]benzothiolo[5,4-b][1]benzofuran
CID 176743747
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-oxa-9-thiahexacyclo[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 130190455
7-(10-dibenzothiophen-2-ylanthracen-9-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314398
18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-14-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene
CID 130185790
6-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)-2,3-diphenyl-[1]benzothiolo[6,5-b][1]benzofuran
CID 174264894
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 155334995
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080
9-[10-(1,2-diphenyl-[1]benzothiolo[5,6-b][1]benzothiol-5-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174266350
6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-14-oxa-9-thiahexacyclo[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 130190593
1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 175617518
3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176743645
1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
CID 138749818

Frequently Asked Questions

What is the IUPAC name of 7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran?
The IUPAC name of 7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran (CID 176746291) is 7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran.
What is the SMILES notation for 7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran?
The canonical SMILES for 7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran is c1ccc(-c2sc3ccc4oc5c(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cccc5c4c3c2-c2ccccc2)cc1.
What is the InChIKey of 7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran?
The InChIKey is SEYBDTUUWLOBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30OS/c1-3-15-32(16-4-1)45-48-43(52-50(45)33-17-5-2-6-18-33)29-28-42-47(48)41-25-13-24-40(49(41)51-42)46-38-22-11-9-20-36(38)44(37-21-10-12-23-39(37)46)35-27-26-31-14-7-8-19-34(31)30-35/h1-30H.
What are the key properties of 7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran?
7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran has a molecular weight of 678.86 g/mol, XLogP of 14.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[5,4-b][1]benzofuran is sourced from PubChem (CID 176746291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).