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

C70H53N3 — CID 167352971

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)c(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)C4CCC(c5ccc6ccccc6c5)CC4)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C70H53N3/c1-6-24-50(25-7-1)64-66(51-26-8-2-9-27-51)71-73-67(52-28-10-3-11-29-52)69(59-36-19-18-35-58(59)68(64)73)72(57-45-43-49(44-46-57)54-42-41-48-23-16-17-30-53(48)47-54)63-40-22-39-62-65(63)60-37-20-21-38-61(60)70(62,55-31-12-4-13-32-55)56-33-14-5-15-34-56/h1-42,47,49,57H,43-46H2
InChIKeyLVURQZZEJBJCNM-UHFFFAOYSA-N
MW936.22 g/mol
LogP17.87
Rot. Bonds9

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

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine (PubChem CID 167352971) has the molecular formula C70H53N3 and a molecular weight of 936.22 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
PubChem CID167352971
Molecular FormulaC70H53N3
Molecular Weight936.22 g/mol
Exact Mass935.42
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)c(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)C4CCC(c5ccc6ccccc6c5)CC4)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C70H53N3/c1-6-24-50(25-7-1)64-66(51-26-8-2-9-27-51)71-73-67(52-28-10-3-11-29-52)69(59-36-19-18-35-58(59)68(64)73)72(57-45-43-49(44-46-57)54-42-41-48-23-16-17-30-53(48)47-54)63-40-22-39-62-65(63)60-37-20-21-38-61(60)70(62,55-31-12-4-13-32-55)56-33-14-5-15-34-56/h1-42,47,49,57H,43-46H2
InChIKeyLVURQZZEJBJCNM-UHFFFAOYSA-N
XLogP17.87
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.22
LogP ≤ 517.87
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-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353071
6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 155158462
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-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167352912
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)-N-naphthalen-1-yl-1,2-diphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167352979
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)-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)-1,2,5-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)pyrazolo[5,1-a]isoquinolin-8-amine
CID 167353115
1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159338

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine (CID 167352971) is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine is c1ccc(-c2nn3c(-c4ccccc4)c(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)C4CCC(c5ccc6ccccc6c5)CC4)c4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?
The InChIKey is LVURQZZEJBJCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H53N3/c1-6-24-50(25-7-1)64-66(51-26-8-2-9-27-51)71-73-67(52-28-10-3-11-29-52)69(59-36-19-18-35-58(59)68(64)73)72(57-45-43-49(44-46-57)54-42-41-48-23-16-17-30-53(48)47-54)63-40-22-39-62-65(63)60-37-20-21-38-61(60)70(62,55-31-12-4-13-32-55)56-33-14-5-15-34-56/h1-42,47,49,57H,43-46H2.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine has a molecular weight of 936.22 g/mol, XLogP of 17.87, 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)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine is sourced from PubChem (CID 167352971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).