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

C79H53N3 — CID 167353138

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)cc4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C79H53N3/c1-8-27-54(28-9-1)73-51-57-47-48-62(52-67(57)77-74(55-29-10-2-11-30-55)76(80-82(73)77)56-31-12-3-13-32-56)81(63-49-50-65-64-41-22-24-43-68(64)79(71(65)53-63,60-37-18-6-19-38-60)61-39-20-7-21-40-61)72-46-26-45-70-75(72)66-42-23-25-44-69(66)78(70,58-33-14-4-15-34-58)59-35-16-5-17-36-59/h1-53H
InChIKeyLHRABFKCJDXPNV-UHFFFAOYSA-N
MW1044.31 g/mol
LogP19.68
Rot. Bonds10

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

N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine (PubChem CID 167353138) has the molecular formula C79H53N3 and a molecular weight of 1044.31 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
PubChem CID167353138
Molecular FormulaC79H53N3
Molecular Weight1044.31 g/mol
Exact Mass1043.42
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
SMILESc1ccc(-c2nn3c(-c4ccccc4)cc4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C79H53N3/c1-8-27-54(28-9-1)73-51-57-47-48-62(52-67(57)77-74(55-29-10-2-11-30-55)76(80-82(73)77)56-31-12-3-13-32-56)81(63-49-50-65-64-41-22-24-43-68(64)79(71(65)53-63,60-37-18-6-19-38-60)61-39-20-7-21-40-61)72-46-26-45-70-75(72)66-42-23-25-44-69(66)78(70,58-33-14-4-15-34-58)59-35-16-5-17-36-59/h1-53H
InChIKeyLHRABFKCJDXPNV-UHFFFAOYSA-N
XLogP19.68
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.31
LogP ≤ 519.68
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-4-yl)-1,2,5-triphenyl-N-(2-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
CID 167353087
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-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167352912
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)-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-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353071
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-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258869

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine (CID 167353138) is N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine is c1ccc(-c2nn3c(-c4ccccc4)cc4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine?
The InChIKey is LHRABFKCJDXPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H53N3/c1-8-27-54(28-9-1)73-51-57-47-48-62(52-67(57)77-74(55-29-10-2-11-30-55)76(80-82(73)77)56-31-12-3-13-32-56)81(63-49-50-65-64-41-22-24-43-68(64)79(71(65)53-63,60-37-18-6-19-38-60)61-39-20-7-21-40-61)72-46-26-45-70-75(72)66-42-23-25-44-69(66)78(70,58-33-14-4-15-34-58)59-35-16-5-17-36-59/h1-53H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine has a molecular weight of 1044.31 g/mol, XLogP of 19.68, 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)-N-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine is sourced from PubChem (CID 167353138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).