N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline

C74H56N8 — CID 88592199

IUPACN-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline
SMILESCc1cc(C)cc(-c2cc3nc(-c4ccc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)cc4)c(-c4ccc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)cc4)nc3cc2-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C74H56N8/c1-49-39-50(2)42-57(41-49)65-45-67-68(46-66(65)58-43-51(3)40-52(4)44-58)78-74(56-27-35-64(36-28-56)82(60-17-9-6-10-18-60)62-31-23-54(24-32-62)70-48-80-38-14-12-20-72(80)76-70)73(77-67)55-25-33-63(34-26-55)81(59-15-7-5-8-16-59)61-29-21-53(22-30-61)69-47-79-37-13-11-19-71(79)75-69/h5-48H,1-4H3
InChIKeyOYGGLFXXVFMGBA-UHFFFAOYSA-N
MW1057.32 g/mol
LogP19.10
Rot. Bonds12

About N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline

N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline (PubChem CID 88592199) has the molecular formula C74H56N8 and a molecular weight of 1057.32 g/mol. Its IUPAC name is N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline
PubChem CID88592199
Molecular FormulaC74H56N8
Molecular Weight1057.32 g/mol
Exact Mass1056.46
IUPAC NameN-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline
SMILESCc1cc(C)cc(-c2cc3nc(-c4ccc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)cc4)c(-c4ccc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)cc4)nc3cc2-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C74H56N8/c1-49-39-50(2)42-57(41-49)65-45-67-68(46-66(65)58-43-51(3)40-52(4)44-58)78-74(56-27-35-64(36-28-56)82(60-17-9-6-10-18-60)62-31-23-54(24-32-62)70-48-80-38-14-12-20-72(80)76-70)73(77-67)55-25-33-63(34-26-55)81(59-15-7-5-8-16-59)61-29-21-53(22-30-61)69-47-79-37-13-11-19-71(79)75-69/h5-48H,1-4H3
InChIKeyOYGGLFXXVFMGBA-UHFFFAOYSA-N
XLogP19.10
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.32
LogP ≤ 519.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline?
The IUPAC name of N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline (CID 88592199) is N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline.
What is the SMILES notation for N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline?
The canonical SMILES for N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline is Cc1cc(C)cc(-c2cc3nc(-c4ccc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)cc4)c(-c4ccc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)cc4)nc3cc2-c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline?
The InChIKey is OYGGLFXXVFMGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H56N8/c1-49-39-50(2)42-57(41-49)65-45-67-68(46-66(65)58-43-51(3)40-52(4)44-58)78-74(56-27-35-64(36-28-56)82(60-17-9-6-10-18-60)62-31-23-54(24-32-62)70-48-80-38-14-12-20-72(80)76-70)73(77-67)55-25-33-63(34-26-55)81(59-15-7-5-8-16-59)61-29-21-53(22-30-61)69-47-79-37-13-11-19-71(79)75-69/h5-48H,1-4H3.
What are the key properties of N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline?
N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline has a molecular weight of 1057.32 g/mol, XLogP of 19.10, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6,7-bis(3,5-dimethylphenyl)-3-[4-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-4-imidazo[1,2-a]pyridin-2-yl-N-phenylaniline is sourced from PubChem (CID 88592199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).