2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline

C66H46N2 — CID 155174942

IUPAC2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3-c3ccc(-c4cnc5ccccc5n4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C66H46N2/c1-7-21-50(22-8-1)63(51-23-9-2-10-24-51)65(54-29-15-5-16-30-54)56-41-37-47(38-42-56)58-44-43-57(45-59(58)48-35-39-49(40-36-48)62-46-67-60-33-19-20-34-61(60)68-62)66(55-31-17-6-18-32-55)64(52-25-11-3-12-26-52)53-27-13-4-14-28-53/h1-46H
InChIKeyDEFJNBUORDBBQL-UHFFFAOYSA-N
MW867.11 g/mol
LogP16.65
Rot. Bonds11

About 2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline

2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline (PubChem CID 155174942) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is 2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline.

Molecular Properties

Compound Name2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline
PubChem CID155174942
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC Name2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3-c3ccc(-c4cnc5ccccc5n4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C66H46N2/c1-7-21-50(22-8-1)63(51-23-9-2-10-24-51)65(54-29-15-5-16-30-54)56-41-37-47(38-42-56)58-44-43-57(45-59(58)48-35-39-49(40-36-48)62-46-67-60-33-19-20-34-61(60)68-62)66(55-31-17-6-18-32-55)64(52-25-11-3-12-26-52)53-27-13-4-14-28-53/h1-46H
InChIKeyDEFJNBUORDBBQL-UHFFFAOYSA-N
XLogP16.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.11
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline with MolForge

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Related Compounds

3-(4-chlorophenyl)quinoxaline-6-carboxylic acid
CID 146673768
CID 88913467
CID 88913467
7-chloro-2-phenylquinoxaline
CID 12631823
2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline
CID 2246096
(4-quinoxalin-2-ylphenyl) 4-methylbenzoate
CID 1115480
4-quinoxalin-2-ylbenzenesulfonic acid
CID 21415698
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
2-quinazolin-6-ylquinoxaline
CID 135299830
2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 138548269
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
(4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate
CID 1254915
N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 2993039

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline?
The IUPAC name of 2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline (CID 155174942) is 2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline.
What is the SMILES notation for 2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline?
The canonical SMILES for 2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline is c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3-c3ccc(-c4cnc5ccccc5n4)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline?
The InChIKey is DEFJNBUORDBBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-7-21-50(22-8-1)63(51-23-9-2-10-24-51)65(54-29-15-5-16-30-54)56-41-37-47(38-42-56)58-44-43-57(45-59(58)48-35-39-49(40-36-48)62-46-67-60-33-19-20-34-61(60)68-62)66(55-31-17-6-18-32-55)64(52-25-11-3-12-26-52)53-27-13-4-14-28-53/h1-46H.
What are the key properties of 2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline?
2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline has a molecular weight of 867.11 g/mol, XLogP of 16.65, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]quinoxaline is sourced from PubChem (CID 155174942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).