2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine

C41H26N2O — CID 142353555

IUPAC2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine
SMILESC1=CCc2c(c(-c3ccncc3)c3ccccc3c2-c2ccc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc2)C=C1
InChIInChI=1S/C41H26N2O/c1-2-10-31-33(11-3-1)41(34-13-7-6-12-32(34)40(31)26-18-20-42-21-19-26)30-14-16-37(43-25-30)29-15-17-38-35(23-29)36-22-27-8-4-5-9-28(27)24-39(36)44-38/h1-10,12-25H,11H2
InChIKeyZCMAJPHHRLBJBX-UHFFFAOYSA-N
MW562.67 g/mol
LogP10.81
Rot. Bonds3

About 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine

2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine (PubChem CID 142353555) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine.

Molecular Properties

Compound Name2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine
PubChem CID142353555
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC Name2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine
SMILESC1=CCc2c(c(-c3ccncc3)c3ccccc3c2-c2ccc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc2)C=C1
InChIInChI=1S/C41H26N2O/c1-2-10-31-33(11-3-1)41(34-13-7-6-12-32(34)40(31)26-18-20-42-21-19-26)30-14-16-37(43-25-30)29-15-17-38-35(23-29)36-22-27-8-4-5-9-28(27)24-39(36)44-38/h1-10,12-25H,11H2
InChIKeyZCMAJPHHRLBJBX-UHFFFAOYSA-N
XLogP10.81
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531109
2-(4-dibenzofuran-2-ylphenyl)-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 147052468
2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 134531225
2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 146859596
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
4-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056412
CID 165025337
CID 165025337

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine?
The IUPAC name of 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine (CID 142353555) is 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine.
What is the SMILES notation for 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine?
The canonical SMILES for 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine is C1=CCc2c(c(-c3ccncc3)c3ccccc3c2-c2ccc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc2)C=C1.
What is the InChIKey of 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine?
The InChIKey is ZCMAJPHHRLBJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-2-10-31-33(11-3-1)41(34-13-7-6-12-32(34)40(31)26-18-20-42-21-19-26)30-14-16-37(43-25-30)29-15-17-38-35(23-29)36-22-27-8-4-5-9-28(27)24-39(36)44-38/h1-10,12-25H,11H2.
What are the key properties of 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine?
2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine has a molecular weight of 562.67 g/mol, XLogP of 10.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine is sourced from PubChem (CID 142353555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).