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

C64H43N3 — CID 167353071

IUPACN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)c(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5ccccc45)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C64H43N3/c1-6-24-45(25-7-1)59-60(46-26-8-2-9-27-46)65-67-61(47-28-10-3-11-29-47)63(55-38-19-18-37-54(55)62(59)67)66(58-40-22-30-44-23-16-17-35-51(44)58)50-41-42-53-52-36-20-21-39-56(52)64(57(53)43-50,48-31-12-4-13-32-48)49-33-14-5-15-34-49/h1-43H
InChIKeyHQPPDPIDZRZYRV-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-6-amine

N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine (PubChem CID 167353071) 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-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
PubChem CID167353071
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-6-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)c(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5ccccc45)c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C64H43N3/c1-6-24-45(25-7-1)59-60(46-26-8-2-9-27-46)65-67-61(47-28-10-3-11-29-47)63(55-38-19-18-37-54(55)62(59)67)66(58-40-22-30-44-23-16-17-35-51(44)58)50-41-42-53-52-36-20-21-39-56(52)64(57(53)43-50,48-31-12-4-13-32-48)49-33-14-5-15-34-49/h1-43H
InChIKeyHQPPDPIDZRZYRV-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-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353032
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-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167353026
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-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167353138
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
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-naphthalen-1-yl-9,9-diphenyl-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168790205
N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine
CID 167352924
1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
CID 167352902
9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine
CID 59136653
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylcyclohexyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167352971

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-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine (CID 167353071) is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-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-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine is c1ccc(-c2nn3c(-c4ccccc4)c(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5ccccc45)c4ccccc4c3c2-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-6-amine?
The InChIKey is HQPPDPIDZRZYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3/c1-6-24-45(25-7-1)59-60(46-26-8-2-9-27-46)65-67-61(47-28-10-3-11-29-47)63(55-38-19-18-37-54(55)62(59)67)66(58-40-22-30-44-23-16-17-35-51(44)58)50-41-42-53-52-36-20-21-39-56(52)64(57(53)43-50,48-31-12-4-13-32-48)49-33-14-5-15-34-49/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-6-amine?
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-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-6-amine is sourced from PubChem (CID 167353071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).