1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine

C59H41N3 — CID 167352902

IUPAC1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3-c3ccccc3)c3c(-c4ccccc4)n4nc(-c5ccccc5)c(-c5ccccc5)c4c4ccccc34)cc2)cc1
InChIInChI=1S/C59H41N3/c1-6-22-42(23-7-1)43-38-40-48(41-39-43)61(54-37-21-20-34-51(54)50-33-17-16-32-49(50)44-24-8-2-9-25-44)59-53-36-19-18-35-52(53)58-55(45-26-10-3-11-27-45)56(46-28-12-4-13-29-46)60-62(58)57(59)47-30-14-5-15-31-47/h1-41H
InChIKeyZPSQKXVDVIUHBJ-UHFFFAOYSA-N
MW792.00 g/mol
LogP15.96
Rot. Bonds9

About 1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine

1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine (PubChem CID 167352902) has the molecular formula C59H41N3 and a molecular weight of 792.00 g/mol. Its IUPAC name is 1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine.

Molecular Properties

Compound Name1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
PubChem CID167352902
Molecular FormulaC59H41N3
Molecular Weight792.00 g/mol
Exact Mass791.33
IUPAC Name1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3-c3ccccc3)c3c(-c4ccccc4)n4nc(-c5ccccc5)c(-c5ccccc5)c4c4ccccc34)cc2)cc1
InChIInChI=1S/C59H41N3/c1-6-22-42(23-7-1)43-38-40-48(41-39-43)61(54-37-21-20-34-51(54)50-33-17-16-32-49(50)44-24-8-2-9-25-44)59-53-36-19-18-35-52(53)58-55(45-26-10-3-11-27-45)56(46-28-12-4-13-29-46)60-62(58)57(59)47-30-14-5-15-31-47/h1-41H
InChIKeyZPSQKXVDVIUHBJ-UHFFFAOYSA-N
XLogP15.96
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.00
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
CID 167353037
N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353025
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-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353032
N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine
CID 167353084
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-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
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-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911

Frequently Asked Questions

What is the IUPAC name of 1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine?
The IUPAC name of 1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine (CID 167352902) is 1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine.
What is the SMILES notation for 1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine?
The canonical SMILES for 1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3-c3ccccc3)c3c(-c4ccccc4)n4nc(-c5ccccc5)c(-c5ccccc5)c4c4ccccc34)cc2)cc1.
What is the InChIKey of 1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine?
The InChIKey is ZPSQKXVDVIUHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3/c1-6-22-42(23-7-1)43-38-40-48(41-39-43)61(54-37-21-20-34-51(54)50-33-17-16-32-49(50)44-24-8-2-9-25-44)59-53-36-19-18-35-52(53)58-55(45-26-10-3-11-27-45)56(46-28-12-4-13-29-46)60-62(58)57(59)47-30-14-5-15-31-47/h1-41H.
What are the key properties of 1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine?
1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine has a molecular weight of 792.00 g/mol, XLogP of 15.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine is sourced from PubChem (CID 167352902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).