N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine

C66H45N3 — CID 167353087

IUPACN-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3cc(-c4ccccc4)n4nc(-c5ccccc5)c(-c5ccccc5)c4c3c2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C66H45N3/c1-7-24-46(25-8-1)54-36-20-22-40-59(54)68(60-41-23-39-58-63(60)55-37-19-21-38-57(55)66(58,51-32-15-5-16-33-51)52-34-17-6-18-35-52)53-43-42-50-44-61(47-26-9-2-10-27-47)69-65(56(50)45-53)62(48-28-11-3-12-29-48)64(67-69)49-30-13-4-14-31-49/h1-45H
InChIKeyNJMAIPMKKCAFFA-UHFFFAOYSA-N
MW880.11 g/mol
LogP16.99
Rot. Bonds9

About N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine

N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine (PubChem CID 167353087) has the molecular formula C66H45N3 and a molecular weight of 880.11 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
PubChem CID167353087
Molecular FormulaC66H45N3
Molecular Weight880.11 g/mol
Exact Mass879.36
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3cc(-c4ccccc4)n4nc(-c5ccccc5)c(-c5ccccc5)c4c3c2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C66H45N3/c1-7-24-46(25-8-1)54-36-20-22-40-59(54)68(60-41-23-39-58-63(60)55-37-19-21-38-57(55)66(58,51-32-15-5-16-33-51)52-34-17-6-18-35-52)53-43-42-50-44-61(47-26-9-2-10-27-47)69-65(56(50)45-53)62(48-28-11-3-12-29-48)64(67-69)49-30-13-4-14-31-49/h1-45H
InChIKeyNJMAIPMKKCAFFA-UHFFFAOYSA-N
XLogP16.99
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.11
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine
CID 167352924
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-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-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-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine
CID 167352975
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-4-yl)-N-[2-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-2-amine
CID 168846075
N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423683
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-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423691

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine (CID 167353087) is N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine is c1ccc(-c2ccccc2N(c2ccc3cc(-c4ccccc4)n4nc(-c5ccccc5)c(-c5ccccc5)c4c3c2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine?
The InChIKey is NJMAIPMKKCAFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3/c1-7-24-46(25-8-1)54-36-20-22-40-59(54)68(60-41-23-39-58-63(60)55-37-19-21-38-57(55)66(58,51-32-15-5-16-33-51)52-34-17-6-18-35-52)53-43-42-50-44-61(47-26-9-2-10-27-47)69-65(56(50)45-53)62(48-28-11-3-12-29-48)64(67-69)49-30-13-4-14-31-49/h1-45H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine?
N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine has a molecular weight of 880.11 g/mol, XLogP of 16.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine is sourced from PubChem (CID 167353087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).