1,2-diphenylethenylbenzene;quinoxaline

C28H22N2 — CID 175322673

IUPAC1,2-diphenylethenylbenzene;quinoxaline
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccccc1.c1ccc2nccnc2c1
InChIInChI=1S/C20H16.C8H6N2/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-2-4-8-7(3-1)9-5-6-10-8/h1-16H;1-6H
InChIKeyACKLVTFOMIBOBL-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.91
Rot. Bonds3

About 1,2-diphenylethenylbenzene;quinoxaline

1,2-diphenylethenylbenzene;quinoxaline (PubChem CID 175322673) has the molecular formula C28H22N2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1,2-diphenylethenylbenzene;quinoxaline.

Molecular Properties

Compound Name1,2-diphenylethenylbenzene;quinoxaline
PubChem CID175322673
Molecular FormulaC28H22N2
Molecular Weight386.50 g/mol
Exact Mass386.18
IUPAC Name1,2-diphenylethenylbenzene;quinoxaline
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccccc1.c1ccc2nccnc2c1
InChIInChI=1S/C20H16.C8H6N2/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-2-4-8-7(3-1)9-5-6-10-8/h1-16H;1-6H
InChIKeyACKLVTFOMIBOBL-UHFFFAOYSA-N
XLogP6.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 173126547
CID 173126547
CID 172843956
CID 172843956
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
1,2-diphenylethenylbenzene;furan
CID 175372951
1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
CID 121493700
5-(1,2-diphenylethenyl)-1H-pyrazole
CID 70413300
2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine
CID 101134171

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethenylbenzene;quinoxaline?
The IUPAC name of 1,2-diphenylethenylbenzene;quinoxaline (CID 175322673) is 1,2-diphenylethenylbenzene;quinoxaline.
What is the SMILES notation for 1,2-diphenylethenylbenzene;quinoxaline?
The canonical SMILES for 1,2-diphenylethenylbenzene;quinoxaline is C(=C(c1ccccc1)c1ccccc1)c1ccccc1.c1ccc2nccnc2c1.
What is the InChIKey of 1,2-diphenylethenylbenzene;quinoxaline?
The InChIKey is ACKLVTFOMIBOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16.C8H6N2/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-2-4-8-7(3-1)9-5-6-10-8/h1-16H;1-6H.
What are the key properties of 1,2-diphenylethenylbenzene;quinoxaline?
1,2-diphenylethenylbenzene;quinoxaline has a molecular weight of 386.50 g/mol, XLogP of 6.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethenylbenzene;quinoxaline is sourced from PubChem (CID 175322673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).