2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline

C78H52N4 — CID 153458494

IUPAC2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline
SMILESc1ccc(-c2ccc(-c3cc(-c4nc5ccccc5nc4-c4ccccc4)ccc3-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)cc1
InChIInChI=1S/C78H52N4/c1-3-19-53(20-4-1)54-33-35-57(36-34-54)72-52-61(78-77(60-21-5-2-6-22-60)81-75-31-13-14-32-76(75)82-78)45-46-71(72)70-28-12-11-27-69(70)64-50-62(67-25-9-7-23-65(67)55-37-41-58(42-38-55)73-29-15-17-47-79-73)49-63(51-64)68-26-10-8-24-66(68)56-39-43-59(44-40-56)74-30-16-18-48-80-74/h1-52H
InChIKeySCOXBONKOXTUQE-UHFFFAOYSA-N
MW1045.30 g/mol
LogP20.42
Rot. Bonds12

About 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline (PubChem CID 153458494) has the molecular formula C78H52N4 and a molecular weight of 1045.30 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline
PubChem CID153458494
Molecular FormulaC78H52N4
Molecular Weight1045.30 g/mol
Exact Mass1044.42
IUPAC Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline
SMILESc1ccc(-c2ccc(-c3cc(-c4nc5ccccc5nc4-c4ccccc4)ccc3-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)cc1
InChIInChI=1S/C78H52N4/c1-3-19-53(20-4-1)54-33-35-57(36-34-54)72-52-61(78-77(60-21-5-2-6-22-60)81-75-31-13-14-32-76(75)82-78)45-46-71(72)70-28-12-11-27-69(70)64-50-62(67-25-9-7-23-65(67)55-37-41-58(42-38-55)73-29-15-17-47-79-73)49-63(51-64)68-26-10-8-24-66(68)56-39-43-59(44-40-56)74-30-16-18-48-80-74/h1-52H
InChIKeySCOXBONKOXTUQE-UHFFFAOYSA-N
XLogP20.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.30
LogP ≤ 520.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
CID 153458153
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 153458373
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 153458604
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
2-[3-phenyl-4-[2-[3-[2-[2-phenyl-4-[4-phenyl-3-(trideuteriomethyl)phenyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 156621495
10-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-4,6-dimethyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 153458251
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 164776219

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline (CID 153458494) is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline is c1ccc(-c2ccc(-c3cc(-c4nc5ccccc5nc4-c4ccccc4)ccc3-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)cc1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline?
The InChIKey is SCOXBONKOXTUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N4/c1-3-19-53(20-4-1)54-33-35-57(36-34-54)72-52-61(78-77(60-21-5-2-6-22-60)81-75-31-13-14-32-76(75)82-78)45-46-71(72)70-28-12-11-27-69(70)64-50-62(67-25-9-7-23-65(67)55-37-41-58(42-38-55)73-29-15-17-47-79-73)49-63(51-64)68-26-10-8-24-66(68)56-39-43-59(44-40-56)74-30-16-18-48-80-74/h1-52H.
What are the key properties of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline?
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline has a molecular weight of 1045.30 g/mol, XLogP of 20.42, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline is sourced from PubChem (CID 153458494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).