N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine

C64H43N3 — CID 167353032

IUPACN-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)c(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccccc45)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C64H43N3/c1-6-25-45(26-7-1)58-60(46-27-8-2-9-28-46)65-67-61(47-29-10-3-11-30-47)63(52-38-19-18-37-51(52)62(58)67)66(56-42-22-31-44-24-16-17-36-50(44)56)57-43-23-41-55-59(57)53-39-20-21-40-54(53)64(55,48-32-12-4-13-33-48)49-34-14-5-15-35-49/h1-43H
InChIKeyGYIYAOMMIYXPTN-UHFFFAOYSA-N
MW854.07 g/mol
LogP16.47
Rot. Bonds8

About N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine

N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine (PubChem CID 167353032) has the molecular formula C64H43N3 and a molecular weight of 854.07 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
PubChem CID167353032
Molecular FormulaC64H43N3
Molecular Weight854.07 g/mol
Exact Mass853.35
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)c(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccccc45)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C64H43N3/c1-6-25-45(26-7-1)58-60(46-27-8-2-9-28-46)65-67-61(47-29-10-3-11-30-47)63(52-38-19-18-37-51(52)62(58)67)66(56-42-22-31-44-24-16-17-36-50(44)56)57-43-23-41-55-59(57)53-39-20-21-40-54(53)64(55,48-32-12-4-13-33-48)49-34-14-5-15-35-49/h1-43H
InChIKeyGYIYAOMMIYXPTN-UHFFFAOYSA-N
XLogP16.47
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 516.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353071
N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353025
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-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167352971
6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 155158462
N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine
CID 167352924
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353059
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-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167353026
N-naphthalen-1-yl-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019661

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine (CID 167353032) is N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine is c1ccc(-c2nn3c(-c4ccccc4)c(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccccc45)c4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?
The InChIKey is GYIYAOMMIYXPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3/c1-6-25-45(26-7-1)58-60(46-27-8-2-9-28-46)65-67-61(47-29-10-3-11-30-47)63(52-38-19-18-37-51(52)62(58)67)66(56-42-22-31-44-24-16-17-36-50(44)56)57-43-23-41-55-59(57)53-39-20-21-40-54(53)64(55,48-32-12-4-13-33-48)49-34-14-5-15-35-49/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?
N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine has a molecular weight of 854.07 g/mol, XLogP of 16.47, 8 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)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine is sourced from PubChem (CID 167353032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).