2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline

C40H25N5 — CID 129040395

IUPAC2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline
SMILESc1cc(-c2cc3cc4ccccc4cn3n2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C40H25N5/c1-3-10-28-20-33(18-16-26(28)8-1)39-41-38(42-40(43-39)34-19-17-27-9-2-4-11-29(27)21-34)32-15-7-14-31(22-32)37-24-36-23-30-12-5-6-13-35(30)25-45(36)44-37/h1-25H
InChIKeyKDLYTRFODLCIQJ-UHFFFAOYSA-N
MW575.68 g/mol
LogP9.65
Rot. Bonds4

About 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline

2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline (PubChem CID 129040395) has the molecular formula C40H25N5 and a molecular weight of 575.68 g/mol. Its IUPAC name is 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline.

Molecular Properties

Compound Name2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline
PubChem CID129040395
Molecular FormulaC40H25N5
Molecular Weight575.68 g/mol
Exact Mass575.21
IUPAC Name2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline
SMILESc1cc(-c2cc3cc4ccccc4cn3n2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C40H25N5/c1-3-10-28-20-33(18-16-26(28)8-1)39-41-38(42-40(43-39)34-19-17-27-9-2-4-11-29(27)21-34)32-15-7-14-31(22-32)37-24-36-23-30-12-5-6-13-35(30)25-45(36)44-37/h1-25H
InChIKeyKDLYTRFODLCIQJ-UHFFFAOYSA-N
XLogP9.65
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.68
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-diphenylpyrimidin-4-yl)pyrazolo[1,5-b]isoquinoline
CID 129040290
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]pyrazolo[1,5-a]quinoline
CID 129040191
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2,4-bis(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-naphthalen-2-ylphenyl)phenyl]naphthalene;2-naphthalen-2-yl-4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 163792749
2-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(3,5-dipyridin-4-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrazolo[1,5-b]isoquinoline
CID 158289505

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline?
The IUPAC name of 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline (CID 129040395) is 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline.
What is the SMILES notation for 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline?
The canonical SMILES for 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline is c1cc(-c2cc3cc4ccccc4cn3n2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline?
The InChIKey is KDLYTRFODLCIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5/c1-3-10-28-20-33(18-16-26(28)8-1)39-41-38(42-40(43-39)34-19-17-27-9-2-4-11-29(27)21-34)32-15-7-14-31(22-32)37-24-36-23-30-12-5-6-13-35(30)25-45(36)44-37/h1-25H.
What are the key properties of 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline?
2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline has a molecular weight of 575.68 g/mol, XLogP of 9.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]pyrazolo[1,5-b]isoquinoline is sourced from PubChem (CID 129040395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).