5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline

C44H28N2 — CID 126706239

IUPAC5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c(-c5ccccc5)c5nccnc5c5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C44H28N2/c1-3-13-29(14-4-1)39-33-17-7-9-19-35(33)40(36-20-10-8-18-34(36)39)31-23-25-32(26-24-31)41-37-21-11-12-22-38(37)43-44(46-28-27-45-43)42(41)30-15-5-2-6-16-30/h1-28H
InChIKeyGZWYUJBUCXRELU-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.76
Rot. Bonds4

About 5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline

5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline (PubChem CID 126706239) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline.

Molecular Properties

Compound Name5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline
PubChem CID126706239
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c(-c5ccccc5)c5nccnc5c5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C44H28N2/c1-3-13-29(14-4-1)39-33-17-7-9-19-35(33)40(36-20-10-8-18-34(36)39)31-23-25-32(26-24-31)41-37-21-11-12-22-38(37)43-44(46-28-27-45-43)42(41)30-15-5-2-6-16-30/h1-28H
InChIKeyGZWYUJBUCXRELU-UHFFFAOYSA-N
XLogP11.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

iridium(3+);bis(phenanthro[9,10-b]pyrazine)
CID 160728362
10-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]benzo[g]quinoline
CID 59184028
10-phenyl-5-[3-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline
CID 59183400
2-(10-phenylanthracen-9-yl)pyridine
CID 88943773
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
7,10-diphenylphenanthro[9,10-b]pyrazine;ethane
CID 143925438
8-(2,6-diphenylpyrimidin-4-yl)-5,6-diphenylpyrazino[2,3-f]quinazoline
CID 147295940
10-phenyl-5-(3,4,5-trimethylphenyl)benzo[g]quinoline
CID 59183543
5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
1,3-dichloro-5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinazoline
CID 163440191
5,10-bis(4-fluorophenyl)benzo[g]quinoline
CID 59183532

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline?
The IUPAC name of 5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline (CID 126706239) is 5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline.
What is the SMILES notation for 5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline?
The canonical SMILES for 5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline is c1ccc(-c2c3ccccc3c(-c3ccc(-c4c(-c5ccccc5)c5nccnc5c5ccccc45)cc3)c3ccccc23)cc1.
What is the InChIKey of 5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline?
The InChIKey is GZWYUJBUCXRELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-13-29(14-4-1)39-33-17-7-9-19-35(33)40(36-20-10-8-18-34(36)39)31-23-25-32(26-24-31)41-37-21-11-12-22-38(37)43-44(46-28-27-45-43)42(41)30-15-5-2-6-16-30/h1-28H.
What are the key properties of 5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline?
5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline has a molecular weight of 584.72 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[f]quinoxaline is sourced from PubChem (CID 126706239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).