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

C70H47N3 — CID 167352912

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)cc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C70H47N3/c1-6-22-50(23-7-1)65-46-55-41-44-59(47-61(55)69-66(51-24-8-2-9-25-51)68(71-73(65)69)52-26-10-3-11-27-52)72(58-42-39-49(40-43-58)54-38-37-48-21-16-17-28-53(48)45-54)64-36-20-35-63-67(64)60-33-18-19-34-62(60)70(63,56-29-12-4-13-30-56)57-31-14-5-15-32-57/h1-47H
InChIKeyMVNDGGMTOFQYHL-UHFFFAOYSA-N
MW930.17 g/mol
LogP18.14
Rot. Bonds9

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

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine (PubChem CID 167352912) has the molecular formula C70H47N3 and a molecular weight of 930.17 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
PubChem CID167352912
Molecular FormulaC70H47N3
Molecular Weight930.17 g/mol
Exact Mass929.38
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)cc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C70H47N3/c1-6-22-50(23-7-1)65-46-55-41-44-59(47-61(55)69-66(51-24-8-2-9-25-51)68(71-73(65)69)52-26-10-3-11-27-52)72(58-42-39-49(40-43-58)54-38-37-48-21-16-17-28-53(48)45-54)64-36-20-35-63-67(64)60-33-18-19-34-62(60)70(63,56-29-12-4-13-30-56)57-31-14-5-15-32-57/h1-47H
InChIKeyMVNDGGMTOFQYHL-UHFFFAOYSA-N
XLogP18.14
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.17
LogP ≤ 518.14
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-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167353026
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-(9,9'-spirobi[fluorene]-4-yl)pyrazolo[5,1-a]isoquinolin-8-amine
CID 167353115
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-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 167271873
9,9-diphenyl-N-(4-phenylphenyl)-N-[7-(4-phenylphenyl)naphthalen-2-yl]fluoren-4-amine
CID 166497792
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 166566442
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-[4-[7-[4-[4-(4-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]naphthalen-1-yl]phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167247172

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine (CID 167352912) is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine is c1ccc(-c2nn3c(-c4ccccc4)cc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine?
The InChIKey is MVNDGGMTOFQYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N3/c1-6-22-50(23-7-1)65-46-55-41-44-59(47-61(55)69-66(51-24-8-2-9-25-51)68(71-73(65)69)52-26-10-3-11-27-52)72(58-42-39-49(40-43-58)54-38-37-48-21-16-17-28-53(48)45-54)64-36-20-35-63-67(64)60-33-18-19-34-62(60)70(63,56-29-12-4-13-30-56)57-31-14-5-15-32-57/h1-47H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine has a molecular weight of 930.17 g/mol, XLogP of 18.14, 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-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine is sourced from PubChem (CID 167352912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).