2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline

C43H27N3 — CID 164771476

IUPAC2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C43H27N3/c1-2-13-28(14-3-1)42-43(46-39-23-11-10-22-38(39)45-42)37-25-24-36(30-16-4-5-17-31(30)37)41-34-20-8-6-18-32(34)40(29-15-12-26-44-27-29)33-19-7-9-21-35(33)41/h1-27H
InChIKeyFDRYAGSXSNZBDJ-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.15
Rot. Bonds4

About 2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline

2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline (PubChem CID 164771476) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline
PubChem CID164771476
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C43H27N3/c1-2-13-28(14-3-1)42-43(46-39-23-11-10-22-38(39)45-42)37-25-24-36(30-16-4-5-17-31(30)37)41-34-20-8-6-18-32(34)40(29-15-12-26-44-27-29)33-19-7-9-21-35(33)41/h1-27H
InChIKeyFDRYAGSXSNZBDJ-UHFFFAOYSA-N
XLogP11.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.15
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

2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline
CID 164771460
2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline
CID 164771483
6-phenyl-8-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]benzo[k]phenanthridine
CID 118332209
2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline
CID 89281033
3-phenyl-4-pyridin-3-ylisoquinoline
CID 11832880
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
5-(9,9-diphenylfluoren-4-yl)-2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]quinoxaline
CID 164771442
2-phenyl-4-pyridin-3-ylquinoline
CID 175326570
6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 147415127
3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552191
1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine
CID 88528366
2,3-bis(4-dibenzofuran-1-ylphenyl)quinoxaline;2-dibenzofuran-1-yl-3-(4-phenylnaphthalen-1-yl)quinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-phenylpyrido[3,4-b]pyrazine;2,3-di(dibenzofuran-1-yl)quinoxaline
CID 161432167

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline?
The IUPAC name of 2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline (CID 164771476) is 2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline.
What is the SMILES notation for 2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline?
The canonical SMILES for 2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline is c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3c4ccccc4c(-c4cccnc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline?
The InChIKey is FDRYAGSXSNZBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-2-13-28(14-3-1)42-43(46-39-23-11-10-22-38(39)45-42)37-25-24-36(30-16-4-5-17-31(30)37)41-34-20-8-6-18-32(34)40(29-15-12-26-44-27-29)33-19-7-9-21-35(33)41/h1-27H.
What are the key properties of 2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline?
2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline has a molecular weight of 585.71 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline is sourced from PubChem (CID 164771476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).