2,3-bis(2-anthracen-9-ylethenyl)quinoxaline

C40H26N2 — CID 139835703

IUPAC2,3-bis(2-anthracen-9-ylethenyl)quinoxaline
SMILESC(=Cc1c2ccccc2cc2ccccc12)c1nc2ccccc2nc1C=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C40H26N2/c1-5-15-31-27(11-1)25-28-12-2-6-16-32(28)35(31)21-23-39-40(42-38-20-10-9-19-37(38)41-39)24-22-36-33-17-7-3-13-29(33)26-30-14-4-8-18-34(30)36/h1-26H
InChIKeyJVPOMTZYLSKWIW-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.58
Rot. Bonds4

About 2,3-bis(2-anthracen-9-ylethenyl)quinoxaline

2,3-bis(2-anthracen-9-ylethenyl)quinoxaline (PubChem CID 139835703) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 2,3-bis(2-anthracen-9-ylethenyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(2-anthracen-9-ylethenyl)quinoxaline
PubChem CID139835703
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC Name2,3-bis(2-anthracen-9-ylethenyl)quinoxaline
SMILESC(=Cc1c2ccccc2cc2ccccc12)c1nc2ccccc2nc1C=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C40H26N2/c1-5-15-31-27(11-1)25-28-12-2-6-16-32(28)35(31)21-23-39-40(42-38-20-10-9-19-37(38)41-39)24-22-36-33-17-7-3-13-29(33)26-30-14-4-8-18-34(30)36/h1-26H
InChIKeyJVPOMTZYLSKWIW-UHFFFAOYSA-N
XLogP10.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 510.58
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

2-[(Z)-2-anthracen-9-ylethenyl]pyridine
CID 102518935
2-[(E)-2-anthracen-9-ylethenyl]pyridine
CID 102518933
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
1-[(E)-2-anthracen-9-ylethenyl]pyrene
CID 102439773
9-(3-bromoprop-1-enyl)anthracene
CID 169476418
[(Z)-2-anthracen-9-ylethenyl]-oxidoazanium
CID 102288508
3-anthracen-9-ylprop-2-en-1-amine
CID 169464466
9-[(1Z,3E)-4-phenylbuta-1,3-dienyl]anthracene
CID 101210227
9-pent-1-enylanthracene
CID 173045692
4-[(E)-2-anthracen-9-ylethenyl]benzonitrile
CID 5378650
9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene
CID 25028120

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-anthracen-9-ylethenyl)quinoxaline?
The IUPAC name of 2,3-bis(2-anthracen-9-ylethenyl)quinoxaline (CID 139835703) is 2,3-bis(2-anthracen-9-ylethenyl)quinoxaline.
What is the SMILES notation for 2,3-bis(2-anthracen-9-ylethenyl)quinoxaline?
The canonical SMILES for 2,3-bis(2-anthracen-9-ylethenyl)quinoxaline is C(=Cc1c2ccccc2cc2ccccc12)c1nc2ccccc2nc1C=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 2,3-bis(2-anthracen-9-ylethenyl)quinoxaline?
The InChIKey is JVPOMTZYLSKWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-5-15-31-27(11-1)25-28-12-2-6-16-32(28)35(31)21-23-39-40(42-38-20-10-9-19-37(38)41-39)24-22-36-33-17-7-3-13-29(33)26-30-14-4-8-18-34(30)36/h1-26H.
What are the key properties of 2,3-bis(2-anthracen-9-ylethenyl)quinoxaline?
2,3-bis(2-anthracen-9-ylethenyl)quinoxaline has a molecular weight of 534.66 g/mol, XLogP of 10.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-anthracen-9-ylethenyl)quinoxaline is sourced from PubChem (CID 139835703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).