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

C53H37N3 — CID 167353037

IUPACN,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4c(-c5ccccc5)n5nc(-c6ccccc6)c(-c6ccccc6)c5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C53H37N3/c1-6-18-38(19-7-1)39-30-32-40(33-31-39)41-34-36-46(37-35-41)55(45-26-14-5-15-27-45)53-48-29-17-16-28-47(48)52-49(42-20-8-2-9-21-42)50(43-22-10-3-11-23-43)54-56(52)51(53)44-24-12-4-13-25-44/h1-37H
InChIKeyUBBQXOGFTBRBTB-UHFFFAOYSA-N
MW715.90 g/mol
LogP14.29
Rot. Bonds8

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

N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine (PubChem CID 167353037) has the molecular formula C53H37N3 and a molecular weight of 715.90 g/mol. Its IUPAC name is N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine.

Molecular Properties

Compound NameN,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
PubChem CID167353037
Molecular FormulaC53H37N3
Molecular Weight715.90 g/mol
Exact Mass715.30
IUPAC NameN,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4c(-c5ccccc5)n5nc(-c6ccccc6)c(-c6ccccc6)c5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C53H37N3/c1-6-18-38(19-7-1)39-30-32-40(33-31-39)41-34-36-46(37-35-41)55(45-26-14-5-15-27-45)53-48-29-17-16-28-47(48)52-49(42-20-8-2-9-21-42)50(43-22-10-3-11-23-43)54-56(52)51(53)44-24-12-4-13-25-44/h1-37H
InChIKeyUBBQXOGFTBRBTB-UHFFFAOYSA-N
XLogP14.29
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,5-triphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine
CID 167352902
N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine
CID 167353084
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353059
4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)-N,N-diphenylaniline
CID 90297341
N,N-bis(9,9-dimethylfluoren-4-yl)-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353025
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-9-amine
CID 167353023
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,5-diphenyl-2-(4-phenylphenyl)pyrazolo[5,1-a]isoquinoline
CID 155159008
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353071
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)phenanthrene-9,10-diamine
CID 22105096
N-(9,9-diphenylfluoren-4-yl)-N-naphthalen-1-yl-1,2,5-triphenylpyrazolo[5,1-a]isoquinolin-6-amine
CID 167353032
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806

Frequently Asked Questions

What is the IUPAC name of N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine?
The IUPAC name of N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine (CID 167353037) is N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine.
What is the SMILES notation for N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine?
The canonical SMILES for N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4c(-c5ccccc5)n5nc(-c6ccccc6)c(-c6ccccc6)c5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine?
The InChIKey is UBBQXOGFTBRBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3/c1-6-18-38(19-7-1)39-30-32-40(33-31-39)41-34-36-46(37-35-41)55(45-26-14-5-15-27-45)53-48-29-17-16-28-47(48)52-49(42-20-8-2-9-21-42)50(43-22-10-3-11-23-43)54-56(52)51(53)44-24-12-4-13-25-44/h1-37H.
What are the key properties of N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine?
N,1,2,5-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine has a molecular weight of 715.90 g/mol, XLogP of 14.29, 8 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-(4-phenylphenyl)phenyl]pyrazolo[5,1-a]isoquinolin-6-amine is sourced from PubChem (CID 167353037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).