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

C58H39N3 — CID 167352979

IUPACN-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine
SMILESc1ccc(-c2nn3cc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccccc45)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C58H39N3/c1-5-22-41(23-6-1)54-56(42-24-7-2-8-25-42)59-60-39-53(46-32-15-16-33-47(46)57(54)60)61(51-37-19-26-40-21-13-14-31-45(40)51)52-38-20-36-50-55(52)48-34-17-18-35-49(48)58(50,43-27-9-3-10-28-43)44-29-11-4-12-30-44/h1-39H
InChIKeyXVCSGGNQVMPGPP-UHFFFAOYSA-N
MW777.97 g/mol
LogP14.81
Rot. Bonds7

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

N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine (PubChem CID 167352979) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine
PubChem CID167352979
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine
SMILESc1ccc(-c2nn3cc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5ccccc45)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C58H39N3/c1-5-22-41(23-6-1)54-56(42-24-7-2-8-25-42)59-60-39-53(46-32-15-16-33-47(46)57(54)60)61(51-37-19-26-40-21-13-14-31-45(40)51)52-38-20-36-50-55(52)48-34-17-18-35-49(48)58(50,43-27-9-3-10-28-43)44-29-11-4-12-30-44/h1-39H
InChIKeyXVCSGGNQVMPGPP-UHFFFAOYSA-N
XLogP14.81
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353032
N-naphthalen-1-yl-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019661
N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine
CID 167352924
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)-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-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-4-amine
CID 167324703
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-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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine (CID 167352979) is N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine is c1ccc(-c2nn3cc(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-diphenylpyrazolo[5,1-a]isoquinolin-6-amine?
The InChIKey is XVCSGGNQVMPGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-5-22-41(23-6-1)54-56(42-24-7-2-8-25-42)59-60-39-53(46-32-15-16-33-47(46)57(54)60)61(51-37-19-26-40-21-13-14-31-45(40)51)52-38-20-36-50-55(52)48-34-17-18-35-49(48)58(50,43-27-9-3-10-28-43)44-29-11-4-12-30-44/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine?
N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine has a molecular weight of 777.97 g/mol, XLogP of 14.81, 7 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-diphenylpyrazolo[5,1-a]isoquinolin-6-amine is sourced from PubChem (CID 167352979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).