3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline

C35H21N3O2 — CID 135215085

IUPAC3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)Oc4nc6ccccc6nc4O5)c4ccccc34)n2)cc1
InChIInChI=1S/C35H21N3O2/c1-2-9-22(10-3-1)28-15-8-16-29(36-28)27-19-18-24(25-11-4-5-12-26(25)27)23-17-20-32-33(21-23)40-35-34(39-32)37-30-13-6-7-14-31(30)38-35/h1-21H
InChIKeyUWWUOINEOADEEA-UHFFFAOYSA-N
MW515.57 g/mol
LogP9.08
Rot. Bonds3

About 3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline

3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline (PubChem CID 135215085) has the molecular formula C35H21N3O2 and a molecular weight of 515.57 g/mol. Its IUPAC name is 3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline.

Molecular Properties

Compound Name3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline
PubChem CID135215085
Molecular FormulaC35H21N3O2
Molecular Weight515.57 g/mol
Exact Mass515.16
IUPAC Name3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)Oc4nc6ccccc6nc4O5)c4ccccc34)n2)cc1
InChIInChI=1S/C35H21N3O2/c1-2-9-22(10-3-1)28-15-8-16-29(36-28)27-19-18-24(25-11-4-5-12-26(25)27)23-17-20-32-33(21-23)40-35-34(39-32)37-30-13-6-7-14-31(30)38-35/h1-21H
InChIKeyUWWUOINEOADEEA-UHFFFAOYSA-N
XLogP9.08
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.57
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline?
The IUPAC name of 3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline (CID 135215085) is 3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline.
What is the SMILES notation for 3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline?
The canonical SMILES for 3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline is c1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)Oc4nc6ccccc6nc4O5)c4ccccc34)n2)cc1.
What is the InChIKey of 3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline?
The InChIKey is UWWUOINEOADEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O2/c1-2-9-22(10-3-1)28-15-8-16-29(36-28)27-19-18-24(25-11-4-5-12-26(25)27)23-17-20-32-33(21-23)40-35-34(39-32)37-30-13-6-7-14-31(30)38-35/h1-21H.
What are the key properties of 3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline?
3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline has a molecular weight of 515.57 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-phenyl-2-pyridinyl)naphthalen-1-yl]-[1,4]benzodioxino[3,2-b]quinoxaline is sourced from PubChem (CID 135215085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).