5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine

C47H29NOS — CID 134531109

IUPAC5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
SMILESC1=C(c2c3ccccc3c(-c3ccc(-c4ccc5oc6cc7ccccc7cc6c5c4)nc3)c3ccccc23)c2sc3ccccc3c2CC1
InChIInChI=1S/C47H29NOS/c1-2-11-29-26-43-40(24-28(29)10-1)39-25-30(21-23-42(39)49-43)41-22-20-31(27-48-41)45-33-13-3-5-15-35(33)46(36-16-6-4-14-34(36)45)38-18-9-17-37-32-12-7-8-19-44(32)50-47(37)38/h1-8,10-16,18-27H,9,17H2
InChIKeyIALLDSVEQXBXCQ-UHFFFAOYSA-N
MW655.82 g/mol
LogP13.37
Rot. Bonds3

About 5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine

5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine (PubChem CID 134531109) has the molecular formula C47H29NOS and a molecular weight of 655.82 g/mol. Its IUPAC name is 5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine.

Molecular Properties

Compound Name5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
PubChem CID134531109
Molecular FormulaC47H29NOS
Molecular Weight655.82 g/mol
Exact Mass655.20
IUPAC Name5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
SMILESC1=C(c2c3ccccc3c(-c3ccc(-c4ccc5oc6cc7ccccc7cc6c5c4)nc3)c3ccccc23)c2sc3ccccc3c2CC1
InChIInChI=1S/C47H29NOS/c1-2-11-29-26-43-40(24-28(29)10-1)39-25-30(21-23-42(39)49-43)41-22-20-31(27-48-41)45-33-13-3-5-15-35(33)46(36-16-6-4-14-34(36)45)38-18-9-17-37-32-12-7-8-19-44(32)50-47(37)38/h1-8,10-16,18-27H,9,17H2
InChIKeyIALLDSVEQXBXCQ-UHFFFAOYSA-N
XLogP13.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.82
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531262
2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-phenanthren-9-ylanthracen-9-yl)pyridine
CID 134530996
5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 162042646
2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine
CID 134531269
2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine
CID 142353555
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
2-(4-dibenzofuran-2-ylphenyl)-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 147052468
2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-4,6-diphenylpyrimidine
CID 118503439
2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 146859596
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
CID 165025337
CID 165025337

Frequently Asked Questions

What is the IUPAC name of 5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine?
The IUPAC name of 5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine (CID 134531109) is 5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine.
What is the SMILES notation for 5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine?
The canonical SMILES for 5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine is C1=C(c2c3ccccc3c(-c3ccc(-c4ccc5oc6cc7ccccc7cc6c5c4)nc3)c3ccccc23)c2sc3ccccc3c2CC1.
What is the InChIKey of 5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine?
The InChIKey is IALLDSVEQXBXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NOS/c1-2-11-29-26-43-40(24-28(29)10-1)39-25-30(21-23-42(39)49-43)41-22-20-31(27-48-41)45-33-13-3-5-15-35(33)46(36-16-6-4-14-34(36)45)38-18-9-17-37-32-12-7-8-19-44(32)50-47(37)38/h1-8,10-16,18-27H,9,17H2.
What are the key properties of 5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine?
5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine has a molecular weight of 655.82 g/mol, XLogP of 13.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine is sourced from PubChem (CID 134531109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).