N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine

C47H33N3 — CID 167353023

IUPACN,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc(-c5ccccc5)n5nc(-c6ccccc6)c(-c6ccccc6)c5c4c3)cc2)cc1
InChIInChI=1S/C47H33N3/c1-6-16-34(17-7-1)35-26-29-41(30-27-35)49(40-24-14-5-15-25-40)42-31-28-39-32-44(36-18-8-2-9-19-36)50-47(43(39)33-42)45(37-20-10-3-11-21-37)46(48-50)38-22-12-4-13-23-38/h1-33H
InChIKeyDXNBABGZMNPOGY-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.63
Rot. Bonds7

About N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine

N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine (PubChem CID 167353023) 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-9-amine.

Molecular Properties

Compound NameN,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
PubChem CID167353023
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC NameN,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc(-c5ccccc5)n5nc(-c6ccccc6)c(-c6ccccc6)c5c4c3)cc2)cc1
InChIInChI=1S/C47H33N3/c1-6-16-34(17-7-1)35-26-29-41(30-27-35)49(40-24-14-5-15-25-40)42-31-28-39-32-44(36-18-8-2-9-19-36)50-47(43(39)33-42)45(37-20-10-3-11-21-37)46(48-50)38-22-12-4-13-23-38/h1-33H
InChIKeyDXNBABGZMNPOGY-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,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine
CID 167353084
N-[4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90297804
9-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328543
1,2,5-triphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]pyrazolo[5,1-a]isoquinoline
CID 167328856
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328582
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167352912
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328744
9-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328576
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
2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 90297803
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-9-amine
CID 167353026

Frequently Asked Questions

What is the IUPAC name of N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine?
The IUPAC name of N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine (CID 167353023) is N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine.
What is the SMILES notation for N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine?
The canonical SMILES for N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc(-c5ccccc5)n5nc(-c6ccccc6)c(-c6ccccc6)c5c4c3)cc2)cc1.
What is the InChIKey of N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine?
The InChIKey is DXNBABGZMNPOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-6-16-34(17-7-1)35-26-29-41(30-27-35)49(40-24-14-5-15-25-40)42-31-28-39-32-44(36-18-8-2-9-19-36)50-47(43(39)33-42)45(37-20-10-3-11-21-37)46(48-50)38-22-12-4-13-23-38/h1-33H.
What are the key properties of N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine?
N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-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-9-amine is sourced from PubChem (CID 167353023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).