N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine

C72H49N3 — CID 167352975

IUPACN-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2cc(-c2ccccc2)n2nc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C72H49N3/c1-7-26-50(27-8-1)57-38-19-20-39-58(57)61-41-22-24-44-66(61)74(56-46-47-60-59-40-21-23-43-64(59)72(65(60)48-56,54-34-15-5-16-35-54)55-36-17-6-18-37-55)67-45-25-42-62-63(67)49-68(51-28-9-2-10-29-51)75-71(62)69(52-30-11-3-12-31-52)70(73-75)53-32-13-4-14-33-53/h1-49H
InChIKeyRYTURNOJWZVAMX-UHFFFAOYSA-N
MW956.21 g/mol
LogP18.66
Rot. Bonds10

About N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine

N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine (PubChem CID 167352975) has the molecular formula C72H49N3 and a molecular weight of 956.21 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine
PubChem CID167352975
Molecular FormulaC72H49N3
Molecular Weight956.21 g/mol
Exact Mass955.39
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2cc(-c2ccccc2)n2nc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C72H49N3/c1-7-26-50(27-8-1)57-38-19-20-39-58(57)61-41-22-24-44-66(61)74(56-46-47-60-59-40-21-23-43-64(59)72(65(60)48-56,54-34-15-5-16-35-54)55-36-17-6-18-37-55)67-45-25-42-62-63(67)49-68(51-28-9-2-10-29-51)75-71(62)69(52-30-11-3-12-31-52)70(73-75)53-32-13-4-14-33-53/h1-49H
InChIKeyRYTURNOJWZVAMX-UHFFFAOYSA-N
XLogP18.66
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.21
LogP ≤ 518.66
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-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)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
CID 167353087
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,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-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353059
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
9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-1-yl)fluoren-2-amine
CID 135167159
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167352912
1-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164928107
N-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90297226

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine (CID 167352975) is N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2cc(-c2ccccc2)n2nc(-c4ccccc4)c(-c4ccccc4)c32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine?
The InChIKey is RYTURNOJWZVAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3/c1-7-26-50(27-8-1)57-38-19-20-39-58(57)61-41-22-24-44-66(61)74(56-46-47-60-59-40-21-23-43-64(59)72(65(60)48-56,54-34-15-5-16-35-54)55-36-17-6-18-37-55)67-45-25-42-62-63(67)49-68(51-28-9-2-10-29-51)75-71(62)69(52-30-11-3-12-31-52)70(73-75)53-32-13-4-14-33-53/h1-49H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine?
N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine has a molecular weight of 956.21 g/mol, XLogP of 18.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine is sourced from PubChem (CID 167352975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).