4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline

C78H52N8 — CID 88592186

IUPAC4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cn4ccccc4n3)cc2)c2ccc(-c3nc4cc(-c5cccc6ccccc56)c(-c5cccc6ccccc56)cc4nc3-c3ccc(N(c4ccccc4)c4ccc(-c5cn6ccccc6n5)cc4)cc3)cc2)cc1
InChIInChI=1S/C78H52N8/c1-3-21-59(22-4-1)85(61-39-31-55(32-40-61)73-51-83-47-13-11-29-75(83)79-73)63-43-35-57(36-44-63)77-78(58-37-45-64(46-38-58)86(60-23-5-2-6-24-60)62-41-33-56(34-42-62)74-52-84-48-14-12-30-76(84)80-74)82-72-50-70(68-28-16-20-54-18-8-10-26-66(54)68)69(49-71(72)81-77)67-27-15-19-53-17-7-9-25-65(53)67/h1-52H
InChIKeyQYGKKQMWPDBKQL-UHFFFAOYSA-N
MW1101.33 g/mol
LogP20.17
Rot. Bonds12

About 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline

4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline (PubChem CID 88592186) has the molecular formula C78H52N8 and a molecular weight of 1101.33 g/mol. Its IUPAC name is 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline
PubChem CID88592186
Molecular FormulaC78H52N8
Molecular Weight1101.33 g/mol
Exact Mass1100.43
IUPAC Name4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cn4ccccc4n3)cc2)c2ccc(-c3nc4cc(-c5cccc6ccccc56)c(-c5cccc6ccccc56)cc4nc3-c3ccc(N(c4ccccc4)c4ccc(-c5cn6ccccc6n5)cc4)cc3)cc2)cc1
InChIInChI=1S/C78H52N8/c1-3-21-59(22-4-1)85(61-39-31-55(32-40-61)73-51-83-47-13-11-29-75(83)79-73)63-43-35-57(36-44-63)77-78(58-37-45-64(46-38-58)86(60-23-5-2-6-24-60)62-41-33-56(34-42-62)74-52-84-48-14-12-30-76(84)80-74)82-72-50-70(68-28-16-20-54-18-8-10-26-66(54)68)69(49-71(72)81-77)67-27-15-19-53-17-7-9-25-65(53)67/h1-52H
InChIKeyQYGKKQMWPDBKQL-UHFFFAOYSA-N
XLogP20.17
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.33
LogP ≤ 520.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline?
The IUPAC name of 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline (CID 88592186) is 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3cn4ccccc4n3)cc2)c2ccc(-c3nc4cc(-c5cccc6ccccc56)c(-c5cccc6ccccc56)cc4nc3-c3ccc(N(c4ccccc4)c4ccc(-c5cn6ccccc6n5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline?
The InChIKey is QYGKKQMWPDBKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N8/c1-3-21-59(22-4-1)85(61-39-31-55(32-40-61)73-51-83-47-13-11-29-75(83)79-73)63-43-35-57(36-44-63)77-78(58-37-45-64(46-38-58)86(60-23-5-2-6-24-60)62-41-33-56(34-42-62)74-52-84-48-14-12-30-76(84)80-74)82-72-50-70(68-28-16-20-54-18-8-10-26-66(54)68)69(49-71(72)81-77)67-27-15-19-53-17-7-9-25-65(53)67/h1-52H.
What are the key properties of 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline?
4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline has a molecular weight of 1101.33 g/mol, XLogP of 20.17, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-a]pyridin-2-yl-N-[4-[3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]-6,7-dinaphthalen-1-ylquinoxalin-2-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 88592186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).