10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

C42H24OS — CID 122415638

IUPAC10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(c1)ccc1c3cccc(-c4c5ccccc5c(-c5cccc6sc7ccccc7c56)c5ccccc45)c3oc21
InChIInChI=1S/C42H24OS/c1-2-12-26-25(11-1)23-24-32-31-18-9-20-35(42(31)43-41(26)32)39-29-15-5-3-13-27(29)38(28-14-4-6-16-30(28)39)34-19-10-22-37-40(34)33-17-7-8-21-36(33)44-37/h1-24H
InChIKeyWMLOYVZQVACJGR-UHFFFAOYSA-N
MW576.72 g/mol
LogP12.75
Rot. Bonds2

About 10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 122415638) has the molecular formula C42H24OS and a molecular weight of 576.72 g/mol. Its IUPAC name is 10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
PubChem CID122415638
Molecular FormulaC42H24OS
Molecular Weight576.72 g/mol
Exact Mass576.15
IUPAC Name10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(c1)ccc1c3cccc(-c4c5ccccc5c(-c5cccc6sc7ccccc7c56)c5ccccc45)c3oc21
InChIInChI=1S/C42H24OS/c1-2-12-26-25(11-1)23-24-32-31-18-9-20-35(42(31)43-41(26)32)39-29-15-5-3-13-27(29)38(28-14-4-6-16-30(28)39)34-19-10-22-37-40(34)33-17-7-8-21-36(33)44-37/h1-24H
InChIKeyWMLOYVZQVACJGR-UHFFFAOYSA-N
XLogP12.75
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.72
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 122426064
10-[10-(1-phenyl-[1]benzothiolo[2,3-f][1]benzothiol-4-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174266261
2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 162050752
2-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176744690
1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
CID 59195925
N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177122272
2-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176744318
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
3-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[2,3-g][1]benzofuran
CID 176743760
16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185868
10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 135183312
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

Frequently Asked Questions

What is the IUPAC name of 10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (CID 122415638) is 10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is c1ccc2c(c1)ccc1c3cccc(-c4c5ccccc5c(-c5cccc6sc7ccccc7c56)c5ccccc45)c3oc21.
What is the InChIKey of 10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The InChIKey is WMLOYVZQVACJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24OS/c1-2-12-26-25(11-1)23-24-32-31-18-9-20-35(42(31)43-41(26)32)39-29-15-5-3-13-27(29)38(28-14-4-6-16-30(28)39)34-19-10-22-37-40(34)33-17-7-8-21-36(33)44-37/h1-24H.
What are the key properties of 10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 576.72 g/mol, XLogP of 12.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 122415638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).