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

C64H43N3 — CID 167353026

IUPACN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)cc4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6ccccc56)cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C64H43N3/c1-6-22-45(23-7-1)60-41-48-37-38-51(42-56(48)63-61(46-24-8-2-9-25-46)62(65-67(60)63)47-26-10-3-11-27-47)66(59-36-20-28-44-21-16-17-33-53(44)59)52-39-40-55-54-34-18-19-35-57(54)64(58(55)43-52,49-29-12-4-13-30-49)50-31-14-5-15-32-50/h1-43H
InChIKeyGNSFIUBRMLMDQC-UHFFFAOYSA-N
MW854.07 g/mol
LogP16.47
Rot. Bonds8

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

N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine (PubChem CID 167353026) has the molecular formula C64H43N3 and a molecular weight of 854.07 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
PubChem CID167353026
Molecular FormulaC64H43N3
Molecular Weight854.07 g/mol
Exact Mass853.35
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)cc4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6ccccc56)cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C64H43N3/c1-6-22-45(23-7-1)60-41-48-37-38-51(42-56(48)63-61(46-24-8-2-9-25-46)62(65-67(60)63)47-26-10-3-11-27-47)66(59-36-20-28-44-21-16-17-33-53(44)59)52-39-40-55-54-34-18-19-35-57(54)64(58(55)43-52,49-29-12-4-13-30-49)50-31-14-5-15-32-50/h1-43H
InChIKeyGNSFIUBRMLMDQC-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-(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)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167352912
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-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353071
N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine
CID 167352975
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-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90297226
N-[4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90297804
1-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164928107
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine (CID 167353026) is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine is c1ccc(-c2nn3c(-c4ccccc4)cc4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6ccccc56)cc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine?
The InChIKey is GNSFIUBRMLMDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3/c1-6-22-45(23-7-1)60-41-48-37-38-51(42-56(48)63-61(46-24-8-2-9-25-46)62(65-67(60)63)47-26-10-3-11-27-47)66(59-36-20-28-44-21-16-17-33-53(44)59)52-39-40-55-54-34-18-19-35-57(54)64(58(55)43-52,49-29-12-4-13-30-49)50-31-14-5-15-32-50/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine?
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-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-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine is sourced from PubChem (CID 167353026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).