4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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

C158H95N12O11P — CID 161352308

IUPAC4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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
SMILESN#Cc1ccc(-c2ccc(-c3ccc4c(c3)Oc3nc5ccccc5nc3O4)c3ccccc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)Oc1nc3ccccc3nc1O2.c1ccc(-c2ccc(-c3ccc4c(c3)Oc3nc5ccccc5nc3O4)c3ccccc23)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)Oc4nc6ccccc6nc4O5)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)Oc4nc6ccccc6nc4O5)c4ccccc34)n2)cc1
InChIInChI=1S/C36H22N2O2.C35H21N3O2.C31H17N3O2.C30H18N2O2.C26H17N2O3P/c1-2-9-23(10-3-1)24-11-8-12-25(21-24)27-18-19-28(30-14-5-4-13-29(27)30)26-17-20-33-34(22-26)40-36-35(39-33)37-31-15-6-7-16-32(31)38-36;1-2-9-22(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;32-18-19-9-11-20(12-10-19)22-14-15-23(25-6-2-1-5-24(22)25)21-13-16-28-29(17-21)36-31-30(35-28)33-26-7-3-4-8-27(26)34-31;1-2-8-19(9-3-1)21-15-16-22(24-11-5-4-10-23(21)24)20-14-17-27-28(18-20)34-30-29(33-27)31-25-12-6-7-13-26(25)32-30;29-32(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-15-16-23-24(17-20)31-26-25(30-23)27-21-13-7-8-14-22(21)28-26/h1-22H;1-21H;1-17H;1-18H;1-17H
InChIKeyVOBTWPCNWVIPPC-UHFFFAOYSA-N
MW2368.54 g/mol
LogP39.83
Rot. Bonds13

About 4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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

4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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 161352308) has the molecular formula C158H95N12O11P and a molecular weight of 2368.54 g/mol. Its IUPAC name is 4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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.

Molecular Properties

Compound Name4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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 CID161352308
Molecular FormulaC158H95N12O11P
Molecular Weight2368.54 g/mol
Exact Mass2366.70
IUPAC Name4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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
SMILESN#Cc1ccc(-c2ccc(-c3ccc4c(c3)Oc3nc5ccccc5nc3O4)c3ccccc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)Oc1nc3ccccc3nc1O2.c1ccc(-c2ccc(-c3ccc4c(c3)Oc3nc5ccccc5nc3O4)c3ccccc23)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)Oc4nc6ccccc6nc4O5)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)Oc4nc6ccccc6nc4O5)c4ccccc34)n2)cc1
InChIInChI=1S/C36H22N2O2.C35H21N3O2.C31H17N3O2.C30H18N2O2.C26H17N2O3P/c1-2-9-23(10-3-1)24-11-8-12-25(21-24)27-18-19-28(30-14-5-4-13-29(27)30)26-17-20-33-34(22-26)40-36-35(39-33)37-31-15-6-7-16-32(31)38-36;1-2-9-22(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;32-18-19-9-11-20(12-10-19)22-14-15-23(25-6-2-1-5-24(22)25)21-13-16-28-29(17-21)36-31-30(35-28)33-26-7-3-4-8-27(26)34-31;1-2-8-19(9-3-1)21-15-16-22(24-11-5-4-10-23(21)24)20-14-17-27-28(18-20)34-30-29(33-27)31-25-12-6-7-13-26(25)32-30;29-32(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-15-16-23-24(17-20)31-26-25(30-23)27-21-13-7-8-14-22(21)28-26/h1-22H;1-21H;1-17H;1-18H;1-17H
InChIKeyVOBTWPCNWVIPPC-UHFFFAOYSA-N
XLogP39.83
TPSA274.95 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002368.54
LogP ≤ 539.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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 with MolForge

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Related Compounds

4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
4-[4-[4-(3-diphenylphosphorylphenyl)naphthalen-1-yl]-6-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 138605069
4-[10-[3-[10-(4-cyanophenyl)anthracen-9-yl]-[1,4]benzodioxino[2,3-b]quinoxalin-2-yl]anthracen-9-yl]benzonitrile
CID 135215074
3-[4-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 165013050
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]fluoranthen-3-yl]phenyl]benzonitrile
CID 165376192
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
CID 45354718
7-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]naphthalene-2-carbonitrile
CID 142488033
3-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317940
4-[3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]phenyl]benzonitrile
CID 165376050
4-[4-[4-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 155283530
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937

Frequently Asked Questions

What is the IUPAC name of 4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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?
The IUPAC name of 4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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 (CID 161352308) is 4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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.
What is the SMILES notation for 4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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?
The canonical SMILES for 4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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 is N#Cc1ccc(-c2ccc(-c3ccc4c(c3)Oc3nc5ccccc5nc3O4)c3ccccc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)Oc1nc3ccccc3nc1O2.c1ccc(-c2ccc(-c3ccc4c(c3)Oc3nc5ccccc5nc3O4)c3ccccc23)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)Oc4nc6ccccc6nc4O5)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccc5c(c4)Oc4nc6ccccc6nc4O5)c4ccccc34)n2)cc1.
What is the InChIKey of 4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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?
The InChIKey is VOBTWPCNWVIPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O2.C35H21N3O2.C31H17N3O2.C30H18N2O2.C26H17N2O3P/c1-2-9-23(10-3-1)24-11-8-12-25(21-24)27-18-19-28(30-14-5-4-13-29(27)30)26-17-20-33-34(22-26)40-36-35(39-33)37-31-15-6-7-16-32(31)38-36;1-2-9-22(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;32-18-19-9-11-20(12-10-19)22-14-15-23(25-6-2-1-5-24(22)25)21-13-16-28-29(17-21)36-31-30(35-28)33-26-7-3-4-8-27(26)34-31;1-2-8-19(9-3-1)21-15-16-22(24-11-5-4-10-23(21)24)20-14-17-27-28(18-20)34-30-29(33-27)31-25-12-6-7-13-26(25)32-30;29-32(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-15-16-23-24(17-20)31-26-25(30-23)27-21-13-7-8-14-22(21)28-26/h1-22H;1-21H;1-17H;1-18H;1-17H.
What are the key properties of 4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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?
4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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 2368.54 g/mol, XLogP of 39.83, 13 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)naphthalen-1-yl]benzonitrile;3-diphenylphosphoryl-[1,4]benzodioxino[3,2-b]quinoxaline;3-(4-phenylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline;3-[4-(3-phenylphenyl)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 is sourced from PubChem (CID 161352308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).