7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline

C56H37N5 — CID 167328832

IUPAC7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5c4cc(-c4ccccc4)n4nc(-c6ccccc6)c(-c6ccccc6)c54)n3)c2)cc1
InChIInChI=1S/C56H37N5/c1-7-20-38(21-8-1)44-34-45(39-22-9-2-10-23-39)36-46(35-44)55-57-54(43-30-17-6-18-31-43)58-56(59-55)48-33-19-32-47-49(48)37-50(40-24-11-3-12-25-40)61-53(47)51(41-26-13-4-14-27-41)52(60-61)42-28-15-5-16-29-42/h1-37H
InChIKeyFFDFWFCXNCVGOM-UHFFFAOYSA-N
MW779.95 g/mol
LogP14.01
Rot. Bonds8

About 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline

7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 167328832) has the molecular formula C56H37N5 and a molecular weight of 779.95 g/mol. Its IUPAC name is 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
PubChem CID167328832
Molecular FormulaC56H37N5
Molecular Weight779.95 g/mol
Exact Mass779.30
IUPAC Name7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5c4cc(-c4ccccc4)n4nc(-c6ccccc6)c(-c6ccccc6)c54)n3)c2)cc1
InChIInChI=1S/C56H37N5/c1-7-20-38(21-8-1)44-34-45(39-22-9-2-10-23-39)36-46(35-44)55-57-54(43-30-17-6-18-31-43)58-56(59-55)48-33-19-32-47-49(48)37-50(40-24-11-3-12-25-40)61-53(47)51(41-26-13-4-14-27-41)52(60-61)42-28-15-5-16-29-42/h1-37H
InChIKeyFFDFWFCXNCVGOM-UHFFFAOYSA-N
XLogP14.01
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.95
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939957
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328776
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328823
9-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328576
2-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939934
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328744
10-[4-[4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 164927998
2-[4-[4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 164927797
1,5-diphenyl-2-[3-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 164928022
1,2,5-triphenyl-6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155158485
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328582
N,1,2,5-tetraphenyl-N-(4-phenylphenyl)pyrazolo[5,1-a]isoquinolin-7-amine
CID 167353084

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline (CID 167328832) is 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5c4cc(-c4ccccc4)n4nc(-c6ccccc6)c(-c6ccccc6)c54)n3)c2)cc1.
What is the InChIKey of 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is FFDFWFCXNCVGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N5/c1-7-20-38(21-8-1)44-34-45(39-22-9-2-10-23-39)36-46(35-44)55-57-54(43-30-17-6-18-31-43)58-56(59-55)48-33-19-32-47-49(48)37-50(40-24-11-3-12-25-40)61-53(47)51(41-26-13-4-14-27-41)52(60-61)42-28-15-5-16-29-42/h1-37H.
What are the key properties of 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline?
7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 779.95 g/mol, XLogP of 14.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 167328832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).