2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine

C41H25NO — CID 134531225

IUPAC2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5oc6cc7ccccc7cc6c45)nc3)c3ccccc23)cc1
InChIInChI=1S/C41H25NO/c1-2-11-26(12-3-1)39-30-15-6-8-17-32(30)40(33-18-9-7-16-31(33)39)29-21-22-36(42-25-29)34-19-10-20-37-41(34)35-23-27-13-4-5-14-28(27)24-38(35)43-37/h1-25H
InChIKeyTVEKBEINMPXGTH-UHFFFAOYSA-N
MW547.66 g/mol
LogP11.44
Rot. Bonds3

About 2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine

2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine (PubChem CID 134531225) has the molecular formula C41H25NO and a molecular weight of 547.66 g/mol. Its IUPAC name is 2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine.

Molecular Properties

Compound Name2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine
PubChem CID134531225
Molecular FormulaC41H25NO
Molecular Weight547.66 g/mol
Exact Mass547.19
IUPAC Name2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5oc6cc7ccccc7cc6c45)nc3)c3ccccc23)cc1
InChIInChI=1S/C41H25NO/c1-2-11-26(12-3-1)39-30-15-6-8-17-32(30)40(33-18-9-7-16-31(33)39)29-21-22-36(42-25-29)34-19-10-20-37-41(34)35-23-27-13-4-5-14-28(27)24-38(35)43-37/h1-25H
InChIKeyTVEKBEINMPXGTH-UHFFFAOYSA-N
XLogP11.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 511.44
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

5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531262
1-[10-(2,6-dideuterio-4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170654026
1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 155203981
1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 170249918
1-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779542
5-naphtho[2,1-b][1]benzofuran-11-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;5-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 159428411
2,5-bis(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine
CID 121325363
1-[10-[2,3,4,5-tetradeuterio-6-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170662844
1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779522
3-[3-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 118488102
2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-phenanthren-9-ylanthracen-9-yl)pyridine
CID 134530996
5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 149259214

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine?
The IUPAC name of 2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine (CID 134531225) is 2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine.
What is the SMILES notation for 2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine?
The canonical SMILES for 2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5oc6cc7ccccc7cc6c45)nc3)c3ccccc23)cc1.
What is the InChIKey of 2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine?
The InChIKey is TVEKBEINMPXGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25NO/c1-2-11-26(12-3-1)39-30-15-6-8-17-32(30)40(33-18-9-7-16-31(33)39)29-21-22-36(42-25-29)34-19-10-20-37-41(34)35-23-27-13-4-5-14-28(27)24-38(35)43-37/h1-25H.
What are the key properties of 2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine?
2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine has a molecular weight of 547.66 g/mol, XLogP of 11.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine is sourced from PubChem (CID 134531225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).