4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

C41H31N5 — CID 139314718

IUPAC4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESC1=CNC(c2ccc(-c3cccc4c(-c5ccc(C6N=C(c7ccccc7)NC(c7ccccc7)=N6)cc5)cccc34)cc2)=NC1
InChIInChI=1S/C41H31N5/c1-3-10-30(11-4-1)39-44-40(31-12-5-2-6-13-31)46-41(45-39)33-24-20-29(21-25-33)35-15-8-16-36-34(14-7-17-37(35)36)28-18-22-32(23-19-28)38-42-26-9-27-43-38/h1-26,41H,27H2,(H,42,43)(H,44,45,46)
InChIKeyMEGWFHIKODAYGX-UHFFFAOYSA-N
MW593.73 g/mol
LogP8.53
Rot. Bonds6

About 4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 139314718) has the molecular formula C41H31N5 and a molecular weight of 593.73 g/mol. Its IUPAC name is 4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID139314718
Molecular FormulaC41H31N5
Molecular Weight593.73 g/mol
Exact Mass593.26
IUPAC Name4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESC1=CNC(c2ccc(-c3cccc4c(-c5ccc(C6N=C(c7ccccc7)NC(c7ccccc7)=N6)cc5)cccc34)cc2)=NC1
InChIInChI=1S/C41H31N5/c1-3-10-30(11-4-1)39-44-40(31-12-5-2-6-13-31)46-41(45-39)33-24-20-29(21-25-33)35-15-8-16-36-34(14-7-17-37(35)36)28-18-22-32(23-19-28)38-42-26-9-27-43-38/h1-26,41H,27H2,(H,42,43)(H,44,45,46)
InChIKeyMEGWFHIKODAYGX-UHFFFAOYSA-N
XLogP8.53
TPSA61.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 58.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine
CID 139314463
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
2-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]benzonitrile
CID 155442951
2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 122477886
2-(2-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 126727956
2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 146321898
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314510

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 139314718) is 4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is C1=CNC(c2ccc(-c3cccc4c(-c5ccc(C6N=C(c7ccccc7)NC(c7ccccc7)=N6)cc5)cccc34)cc2)=NC1.
What is the InChIKey of 4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is MEGWFHIKODAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N5/c1-3-10-30(11-4-1)39-44-40(31-12-5-2-6-13-31)46-41(45-39)33-24-20-29(21-25-33)35-15-8-16-36-34(14-7-17-37(35)36)28-18-22-32(23-19-28)38-42-26-9-27-43-38/h1-26,41H,27H2,(H,42,43)(H,44,45,46).
What are the key properties of 4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 593.73 g/mol, XLogP of 8.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 139314718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).