5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline

C47H29N5 — CID 118582355

IUPAC5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline
SMILESc1cc(-c2cc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc(-c3cccc4cnccc34)c2)c2ccncc2c1
InChIInChI=1S/C47H29N5/c1-3-15-37-30(9-1)11-5-19-43(37)46-50-45(51-47(52-46)44-20-6-12-31-10-2-4-16-38(31)44)36-26-34(39-17-7-13-32-28-48-23-21-41(32)39)25-35(27-36)40-18-8-14-33-29-49-24-22-42(33)40/h1-29H
InChIKeyVECWYIBZTRCGFI-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.61
Rot. Bonds5

About 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline

5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline (PubChem CID 118582355) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline.

Molecular Properties

Compound Name5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline
PubChem CID118582355
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline
SMILESc1cc(-c2cc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc(-c3cccc4cnccc34)c2)c2ccncc2c1
InChIInChI=1S/C47H29N5/c1-3-15-37-30(9-1)11-5-19-43(37)46-50-45(51-47(52-46)44-20-6-12-31-10-2-4-16-38(31)44)36-26-34(39-17-7-13-32-28-48-23-21-41(32)39)25-35(27-36)40-18-8-14-33-29-49-24-22-42(33)40/h1-29H
InChIKeyVECWYIBZTRCGFI-UHFFFAOYSA-N
XLogP11.61
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline with MolForge

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Related Compounds

5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122416201
2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine
CID 153466253
5-[4-[2-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]isoquinoline
CID 130262136
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-naphthalen-1-ylphenyl)phenyl]benzo[c][2,7]naphthyridine
CID 129201394
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
5-pyrimidin-5-ylisoquinoline
CID 141337488
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-naphthalen-1-yl-4-(3-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177278754
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-3-ylpyrimidine
CID 155089111
5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline
CID 144553782
2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146230593

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline?
The IUPAC name of 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline (CID 118582355) is 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline.
What is the SMILES notation for 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline?
The canonical SMILES for 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline is c1cc(-c2cc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc(-c3cccc4cnccc34)c2)c2ccncc2c1.
What is the InChIKey of 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline?
The InChIKey is VECWYIBZTRCGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-3-15-37-30(9-1)11-5-19-43(37)46-50-45(51-47(52-46)44-20-6-12-31-10-2-4-16-38(31)44)36-26-34(39-17-7-13-32-28-48-23-21-41(32)39)25-35(27-36)40-18-8-14-33-29-49-24-22-42(33)40/h1-29H.
What are the key properties of 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline?
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline has a molecular weight of 663.78 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline is sourced from PubChem (CID 118582355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).