2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline

C41H26N4 — CID 129040191

IUPAC2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline
SMILESc1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2cc3ccc4ccccc4n3n2)c1
InChIInChI=1S/C41H26N4/c1-3-11-30-22-34(18-16-27(30)8-1)38-26-37(42-41(43-38)35-19-17-28-9-2-4-12-31(28)23-35)32-13-7-14-33(24-32)39-25-36-21-20-29-10-5-6-15-40(29)45(36)44-39/h1-26H
InChIKeyMZUWJLKLJHLVEM-UHFFFAOYSA-N
MW574.69 g/mol
LogP10.25
Rot. Bonds4

About 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline

2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline (PubChem CID 129040191) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline
PubChem CID129040191
Molecular FormulaC41H26N4
Molecular Weight574.69 g/mol
Exact Mass574.22
IUPAC Name2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline
SMILESc1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2cc3ccc4ccccc4n3n2)c1
InChIInChI=1S/C41H26N4/c1-3-11-30-22-34(18-16-27(30)8-1)38-26-37(42-41(43-38)35-19-17-28-9-2-4-12-31(28)23-35)32-13-7-14-33(24-32)39-25-36-21-20-29-10-5-6-15-40(29)45(36)44-39/h1-26H
InChIKeyMZUWJLKLJHLVEM-UHFFFAOYSA-N
XLogP10.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline 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

2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline
CID 129040395
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]pyrazolo[1,5-a]quinoline;2-[4-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-2-pyridinyl]pyrazolo[1,5-a]quinoline
CID 159044227
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)pyrazolo[1,5-a]quinoline
CID 129040134
9-[4-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole
CID 58943227
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
2-[3-[4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(5-pyridin-3-yl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline;2-[3-[4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]phenyl]pyrazolo[1,5-a]quinoline
CID 159643946
triphenyl-(4-pyrazolo[1,5-a]quinolin-2-ylphenyl)-λ4-sulfane
CID 139292625
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-naphthalen-2-yl-1,10-phenanthroline
CID 134167414
2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline
CID 129040100
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 122548824

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline?
The IUPAC name of 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline (CID 129040191) is 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline.
What is the SMILES notation for 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline?
The canonical SMILES for 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline is c1cc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc(-c2cc3ccc4ccccc4n3n2)c1.
What is the InChIKey of 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline?
The InChIKey is MZUWJLKLJHLVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-3-11-30-22-34(18-16-27(30)8-1)38-26-37(42-41(43-38)35-19-17-28-9-2-4-12-31(28)23-35)32-13-7-14-33(24-32)39-25-36-21-20-29-10-5-6-15-40(29)45(36)44-39/h1-26H.
What are the key properties of 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline?
2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline has a molecular weight of 574.69 g/mol, XLogP of 10.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline is sourced from PubChem (CID 129040191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).