N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine

C79H53N3 — CID 167352924

IUPACN,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)cc4cc(N(c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C79H53N3/c1-8-28-54(29-9-1)72-53-57-52-62(50-51-63(57)77-73(55-30-10-2-11-31-55)76(80-82(72)77)56-32-12-3-13-33-56)81(70-48-26-46-68-74(70)64-42-22-24-44-66(64)78(68,58-34-14-4-15-35-58)59-36-16-5-17-37-59)71-49-27-47-69-75(71)65-43-23-25-45-67(65)79(69,60-38-18-6-19-39-60)61-40-20-7-21-41-61/h1-53H
InChIKeyLBNOHTWWGUVBHG-UHFFFAOYSA-N
MW1044.31 g/mol
LogP19.68
Rot. Bonds10

About N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine

N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine (PubChem CID 167352924) has the molecular formula C79H53N3 and a molecular weight of 1044.31 g/mol. Its IUPAC name is N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine.

Molecular Properties

Compound NameN,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine
PubChem CID167352924
Molecular FormulaC79H53N3
Molecular Weight1044.31 g/mol
Exact Mass1043.42
IUPAC NameN,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)cc4cc(N(c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C79H53N3/c1-8-28-54(29-9-1)72-53-57-52-62(50-51-63(57)77-73(55-30-10-2-11-31-55)76(80-82(72)77)56-32-12-3-13-33-56)81(70-48-26-46-68-74(70)64-42-22-24-44-66(64)78(68,58-34-14-4-15-35-58)59-36-16-5-17-37-59)71-49-27-47-69-75(71)65-43-23-25-45-67(65)79(69,60-38-18-6-19-39-60)61-40-20-7-21-41-61/h1-53H
InChIKeyLBNOHTWWGUVBHG-UHFFFAOYSA-N
XLogP19.68
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.31
LogP ≤ 519.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)pyrazolo[5,1-a]isoquinolin-8-amine
CID 167353115
N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
CID 167353087
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167353138
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167352912
N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine
CID 167352975
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167353026
N-(9,9-dimethylfluoren-2-yl)-1,2,5-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)pyrazolo[5,1-a]isoquinolin-9-amine
CID 167353052
N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353032
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353071
N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167352979
N-(9,9-diphenylfluoren-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine
CID 168846075
1-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164928107

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine?
The IUPAC name of N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine (CID 167352924) is N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine.
What is the SMILES notation for N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine?
The canonical SMILES for N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine is c1ccc(-c2nn3c(-c4ccccc4)cc4cc(N(c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine?
The InChIKey is LBNOHTWWGUVBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H53N3/c1-8-28-54(29-9-1)72-53-57-52-62(50-51-63(57)77-73(55-30-10-2-11-31-55)76(80-82(72)77)56-32-12-3-13-33-56)81(70-48-26-46-68-74(70)64-42-22-24-44-66(64)78(68,58-34-14-4-15-35-58)59-36-16-5-17-37-59)71-49-27-47-69-75(71)65-43-23-25-45-67(65)79(69,60-38-18-6-19-39-60)61-40-20-7-21-41-61/h1-53H.
What are the key properties of N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine?
N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine has a molecular weight of 1044.31 g/mol, XLogP of 19.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine is sourced from PubChem (CID 167352924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).