N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine

C50H37N3 — CID 167352964

IUPACN-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3cc(-c3ccccc3)n3nc(-c5ccccc5)c(-c5ccccc5)c43)cccc21
InChIInChI=1S/C50H37N3/c1-50(2)41-29-16-15-27-39(41)47-42(50)30-18-32-44(47)52(37-25-13-6-14-26-37)43-31-17-28-38-40(43)33-45(34-19-7-3-8-20-34)53-49(38)46(35-21-9-4-10-22-35)48(51-53)36-23-11-5-12-24-36/h3-33H,1-2H3
InChIKeyANHICERIYUUAOC-UHFFFAOYSA-N
MW679.87 g/mol
LogP13.26
Rot. Bonds6

About N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine

N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine (PubChem CID 167352964) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine
PubChem CID167352964
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3cc(-c3ccccc3)n3nc(-c5ccccc5)c(-c5ccccc5)c43)cccc21
InChIInChI=1S/C50H37N3/c1-50(2)41-29-16-15-27-39(41)47-42(50)30-18-32-44(47)52(37-25-13-6-14-26-37)43-31-17-28-38-40(43)33-45(34-19-7-3-8-20-34)53-49(38)46(35-21-9-4-10-22-35)48(51-53)36-23-11-5-12-24-36/h3-33H,1-2H3
InChIKeyANHICERIYUUAOC-UHFFFAOYSA-N
XLogP13.26
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353025
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)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine
CID 167352975
N-[4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90297804
N,N-bis(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-8-amine
CID 167352924
N-[3-[3-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90297637
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-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-(9,9-diphenylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167353138
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167352912
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170666243

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine (CID 167352964) is N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3cc(-c3ccccc3)n3nc(-c5ccccc5)c(-c5ccccc5)c43)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine?
The InChIKey is ANHICERIYUUAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3/c1-50(2)41-29-16-15-27-39(41)47-42(50)30-18-32-44(47)52(37-25-13-6-14-26-37)43-31-17-28-38-40(43)33-45(34-19-7-3-8-20-34)53-49(38)46(35-21-9-4-10-22-35)48(51-53)36-23-11-5-12-24-36/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine?
N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine has a molecular weight of 679.87 g/mol, XLogP of 13.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine is sourced from PubChem (CID 167352964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).