2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline

C42H26N2 — CID 90361383

IUPAC2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cnc6ccccc6n5)ccc34)ccc2c1
InChIInChI=1S/C42H26N2/c1-3-11-29-23-32(19-17-27(29)9-1)41-34-13-5-6-14-35(34)42(33-20-18-28-10-2-4-12-30(28)24-33)37-25-31(21-22-36(37)41)40-26-43-38-15-7-8-16-39(38)44-40/h1-26H
InChIKeyGYCULHXMPYGKDD-UHFFFAOYSA-N
MW558.68 g/mol
LogP11.24
Rot. Bonds3

About 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline

2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline (PubChem CID 90361383) has the molecular formula C42H26N2 and a molecular weight of 558.68 g/mol. Its IUPAC name is 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline
PubChem CID90361383
Molecular FormulaC42H26N2
Molecular Weight558.68 g/mol
Exact Mass558.21
IUPAC Name2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cnc6ccccc6n5)ccc34)ccc2c1
InChIInChI=1S/C42H26N2/c1-3-11-29-23-32(19-17-27(29)9-1)41-34-13-5-6-14-35(34)42(33-20-18-28-10-2-4-12-30(28)24-33)37-25-31(21-22-36(37)41)40-26-43-38-15-7-8-16-39(38)44-40/h1-26H
InChIKeyGYCULHXMPYGKDD-UHFFFAOYSA-N
XLogP11.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine
CID 88897339
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
2-[10-fluoranthen-3-yl-9-(4-fluoranthen-3-ylphenyl)anthracen-2-yl]quinoxaline;6-[10-fluoranthen-3-yl-9-(4-naphthalen-2-ylphenyl)anthracen-2-yl]quinoxaline;9-naphthalen-2-yl-2,6-diphenyl-10-(2-phenylphenyl)anthracene;9-naphthalen-2-yl-2,6-diphenyl-10-[2-(4-phenylphenyl)phenyl]anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-2,6-diphenylanthracene;9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 162207436
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine
CID 90361727
7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine
CID 59183805
6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine
CID 58323745
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline?
The IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline (CID 90361383) is 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline.
What is the SMILES notation for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline?
The canonical SMILES for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cnc6ccccc6n5)ccc34)ccc2c1.
What is the InChIKey of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline?
The InChIKey is GYCULHXMPYGKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2/c1-3-11-29-23-32(19-17-27(29)9-1)41-34-13-5-6-14-35(34)42(33-20-18-28-10-2-4-12-30(28)24-33)37-25-31(21-22-36(37)41)40-26-43-38-15-7-8-16-39(38)44-40/h1-26H.
What are the key properties of 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline?
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline has a molecular weight of 558.68 g/mol, XLogP of 11.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline is sourced from PubChem (CID 90361383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).