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

C59H45N3 — CID 167353025

IUPACN,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C4(C)C)c3c(-c4ccccc4)n4nc(-c5ccccc5)c(-c5ccccc5)c4c4ccccc34)cccc21
InChIInChI=1S/C59H45N3/c1-58(2)45-32-18-16-30-43(45)52-47(58)34-20-36-49(52)61(50-37-21-35-48-53(50)44-31-17-19-33-46(44)59(48,3)4)57-42-29-15-14-28-41(42)56-51(38-22-8-5-9-23-38)54(39-24-10-6-11-25-39)60-62(56)55(57)40-26-12-7-13-27-40/h5-37H,1-4H3
InChIKeyHRYRFEZWTLEKQE-UHFFFAOYSA-N
MW796.03 g/mol
LogP15.57
Rot. Bonds6

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

N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine (PubChem CID 167353025) has the molecular formula C59H45N3 and a molecular weight of 796.03 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
PubChem CID167353025
Molecular FormulaC59H45N3
Molecular Weight796.03 g/mol
Exact Mass795.36
IUPAC NameN,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C4(C)C)c3c(-c4ccccc4)n4nc(-c5ccccc5)c(-c5ccccc5)c4c4ccccc34)cccc21
InChIInChI=1S/C59H45N3/c1-58(2)45-32-18-16-30-43(45)52-47(58)34-20-36-49(52)61(50-37-21-35-48-53(50)44-31-17-19-33-46(44)59(48,3)4)57-42-29-15-14-28-41(42)56-51(38-22-8-5-9-23-38)54(39-24-10-6-11-25-39)60-62(56)55(57)40-26-12-7-13-27-40/h5-37H,1-4H3
InChIKeyHRYRFEZWTLEKQE-UHFFFAOYSA-N
XLogP15.57
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.03
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine with MolForge

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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-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine
CID 167352964
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353059
1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
CID 167352902
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-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-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167352971
1,2,5-triphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159338
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
N,N-bis(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)quinazolin-4-amine
CID 142427080
6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 155158462
N-[4-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 139499291

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine (CID 167353025) is N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine is CC1(C)c2ccccc2-c2c(N(c3cccc4c3-c3ccccc3C4(C)C)c3c(-c4ccccc4)n4nc(-c5ccccc5)c(-c5ccccc5)c4c4ccccc34)cccc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?
The InChIKey is HRYRFEZWTLEKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N3/c1-58(2)45-32-18-16-30-43(45)52-47(58)34-20-36-49(52)61(50-37-21-35-48-53(50)44-31-17-19-33-46(44)59(48,3)4)57-42-29-15-14-28-41(42)56-51(38-22-8-5-9-23-38)54(39-24-10-6-11-25-39)60-62(56)55(57)40-26-12-7-13-27-40/h5-37H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine?
N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine has a molecular weight of 796.03 g/mol, XLogP of 15.57, 6 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-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine is sourced from PubChem (CID 167353025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).