N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine

C47H33N3 — CID 167353084

IUPACN,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3cc(-c3ccccc3)n3nc(-c5ccccc5)c(-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C47H33N3/c1-6-17-34(18-7-1)35-29-31-40(32-30-35)49(39-25-14-5-15-26-39)43-28-16-27-41-42(43)33-44(36-19-8-2-9-20-36)50-47(41)45(37-21-10-3-11-22-37)46(48-50)38-23-12-4-13-24-38/h1-33H
InChIKeySODWYZVBSQOOKO-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.63
Rot. Bonds7

About N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine

N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine (PubChem CID 167353084) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine.

Molecular Properties

Compound NameN,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine
PubChem CID167353084
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC NameN,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3cc(-c3ccccc3)n3nc(-c5ccccc5)c(-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C47H33N3/c1-6-17-34(18-7-1)35-29-31-40(32-30-35)49(39-25-14-5-15-26-39)43-28-16-27-41-42(43)33-44(36-19-8-2-9-20-36)50-47(41)45(37-21-10-3-11-22-37)46(48-50)38-23-12-4-13-24-38/h1-33H
InChIKeySODWYZVBSQOOKO-UHFFFAOYSA-N
XLogP12.63
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)-N,N-diphenylaniline
CID 90297341
N-(9,9-dimethylfluoren-4-yl)-N,1,2,5-tetraphenylpyrazolo[5,1-a]isoquinolin-7-amine
CID 167352964
N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
CID 167353023
N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
CID 167353037
N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenyl-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-7-amine
CID 167352975
7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328832
N-[4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90297804
N-[4-(5-cyclopropyl-1-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 90297166
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939957
1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
CID 167352902
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
9-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328543

Frequently Asked Questions

What is the IUPAC name of N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine?
The IUPAC name of N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine (CID 167353084) is N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine.
What is the SMILES notation for N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine?
The canonical SMILES for N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3cc(-c3ccccc3)n3nc(-c5ccccc5)c(-c5ccccc5)c43)cc2)cc1.
What is the InChIKey of N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine?
The InChIKey is SODWYZVBSQOOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-6-17-34(18-7-1)35-29-31-40(32-30-35)49(39-25-14-5-15-26-39)43-28-16-27-41-42(43)33-44(36-19-8-2-9-20-36)50-47(41)45(37-21-10-3-11-22-37)46(48-50)38-23-12-4-13-24-38/h1-33H.
What are the key properties of N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine?
N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine has a molecular weight of 639.80 g/mol, XLogP of 12.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine is sourced from PubChem (CID 167353084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).