N-[4-[5,8-bis(9,9-dimethylfluoren-2-yl)-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

C88H64N8 — CID 88592196

IUPACN-[4-[5,8-bis(9,9-dimethylfluoren-2-yl)-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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(N(c6ccccc6)c6ccc(-c7cn8ccccc8n7)cc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccc(-c7cn8ccccc8n7)cc6)cc5)nc34)cc21
InChIInChI=1S/C88H64N8/c1-87(2)75-25-13-11-23-71(75)73-47-37-61(53-77(73)87)69-49-50-70(62-38-48-74-72-24-12-14-26-76(72)88(3,4)78(74)54-62)86-85(69)91-83(59-33-43-67(44-34-59)95(63-19-7-5-8-20-63)65-39-29-57(30-40-65)79-55-93-51-17-15-27-81(93)89-79)84(92-86)60-35-45-68(46-36-60)96(64-21-9-6-10-22-64)66-41-31-58(32-42-66)80-56-94-52-18-16-28-82(94)90-80/h5-56H,1-4H3
InChIKeyZDFWZSQXTDEEIR-UHFFFAOYSA-N
MW1233.54 g/mol
LogP22.48
Rot. Bonds12

About N-[4-[5,8-bis(9,9-dimethylfluoren-2-yl)-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-[5,8-bis(9,9-dimethylfluoren-2-yl)-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 88592196) has the molecular formula C88H64N8 and a molecular weight of 1233.54 g/mol. Its IUPAC name is N-[4-[5,8-bis(9,9-dimethylfluoren-2-yl)-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-[5,8-bis(9,9-dimethylfluoren-2-yl)-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 CID88592196
Molecular FormulaC88H64N8
Molecular Weight1233.54 g/mol
Exact Mass1232.53
IUPAC NameN-[4-[5,8-bis(9,9-dimethylfluoren-2-yl)-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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(N(c6ccccc6)c6ccc(-c7cn8ccccc8n7)cc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccc(-c7cn8ccccc8n7)cc6)cc5)nc34)cc21
InChIInChI=1S/C88H64N8/c1-87(2)75-25-13-11-23-71(75)73-47-37-61(53-77(73)87)69-49-50-70(62-38-48-74-72-24-12-14-26-76(72)88(3,4)78(74)54-62)86-85(69)91-83(59-33-43-67(44-34-59)95(63-19-7-5-8-20-63)65-39-29-57(30-40-65)79-55-93-51-17-15-27-81(93)89-79)84(92-86)60-35-45-68(46-36-60)96(64-21-9-6-10-22-64)66-41-31-58(32-42-66)80-56-94-52-18-16-28-82(94)90-80/h5-56H,1-4H3
InChIKeyZDFWZSQXTDEEIR-UHFFFAOYSA-N
XLogP22.48
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.54
LogP ≤ 522.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-[5,8-bis(9,9-dimethylfluoren-2-yl)-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-[5,8-bis(9,9-dimethylfluoren-2-yl)-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-[5,8-bis(9,9-dimethylfluoren-2-yl)-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 88592196) is N-[4-[5,8-bis(9,9-dimethylfluoren-2-yl)-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-[5,8-bis(9,9-dimethylfluoren-2-yl)-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-[5,8-bis(9,9-dimethylfluoren-2-yl)-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 CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4nc(-c5ccc(N(c6ccccc6)c6ccc(-c7cn8ccccc8n7)cc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccc(-c7cn8ccccc8n7)cc6)cc5)nc34)cc21.
What is the InChIKey of N-[4-[5,8-bis(9,9-dimethylfluoren-2-yl)-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 ZDFWZSQXTDEEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H64N8/c1-87(2)75-25-13-11-23-71(75)73-47-37-61(53-77(73)87)69-49-50-70(62-38-48-74-72-24-12-14-26-76(72)88(3,4)78(74)54-62)86-85(69)91-83(59-33-43-67(44-34-59)95(63-19-7-5-8-20-63)65-39-29-57(30-40-65)79-55-93-51-17-15-27-81(93)89-79)84(92-86)60-35-45-68(46-36-60)96(64-21-9-6-10-22-64)66-41-31-58(32-42-66)80-56-94-52-18-16-28-82(94)90-80/h5-56H,1-4H3.
What are the key properties of N-[4-[5,8-bis(9,9-dimethylfluoren-2-yl)-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-[5,8-bis(9,9-dimethylfluoren-2-yl)-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 1233.54 g/mol, XLogP of 22.48, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5,8-bis(9,9-dimethylfluoren-2-yl)-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 88592196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).