2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline

C43H27N3 — CID 164771483

IUPAC2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc3cc(-c4c5ccccc5c(-c5cccnc5)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C43H27N3/c1-2-11-28(12-3-1)42-43(46-39-19-9-8-18-38(39)45-42)32-23-21-29-25-31(22-20-30(29)26-32)40-34-14-4-6-16-36(34)41(33-13-10-24-44-27-33)37-17-7-5-15-35(37)40/h1-27H
InChIKeyVQZAJTZFQFYKPN-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.15
Rot. Bonds4

About 2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline

2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline (PubChem CID 164771483) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline
PubChem CID164771483
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc3cc(-c4c5ccccc5c(-c5cccnc5)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C43H27N3/c1-2-11-28(12-3-1)42-43(46-39-19-9-8-18-38(39)45-42)32-23-21-29-25-31(22-20-30(29)26-32)40-34-14-4-6-16-36(34)41(33-13-10-24-44-27-33)37-17-7-5-15-35(37)40/h1-27H
InChIKeyVQZAJTZFQFYKPN-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-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline
CID 164771476
2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline
CID 164771460
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
3-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-6-phenylbenzo[k]phenanthridine
CID 118332288
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-pyridin-3-ylpyridine
CID 89001174
6-phenyl-8-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]benzo[k]phenanthridine
CID 118332209
6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine
CID 58323745
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552191

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline?
The IUPAC name of 2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline (CID 164771483) is 2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline.
What is the SMILES notation for 2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline?
The canonical SMILES for 2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline is c1ccc(-c2nc3ccccc3nc2-c2ccc3cc(-c4c5ccccc5c(-c5cccnc5)c5ccccc45)ccc3c2)cc1.
What is the InChIKey of 2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline?
The InChIKey is VQZAJTZFQFYKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-2-11-28(12-3-1)42-43(46-39-19-9-8-18-38(39)45-42)32-23-21-29-25-31(22-20-30(29)26-32)40-34-14-4-6-16-36(34)41(33-13-10-24-44-27-33)37-17-7-5-15-35(37)40/h1-27H.
What are the key properties of 2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline?
2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-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-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline is sourced from PubChem (CID 164771483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).