2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C43H33N5 — CID 144734393

IUPAC2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(C)nc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4C=CCC5)c3)c2)n1
InChIInChI=1S/C43H33N5/c1-28-23-29(2)45-42(44-28)34-20-11-19-33(24-34)35-25-36(39-22-12-18-30-13-9-10-21-38(30)39)27-37(26-35)43-47-40(31-14-5-3-6-15-31)46-41(48-43)32-16-7-4-8-17-32/h3-8,10-12,14-27H,9,13H2,1-2H3
InChIKeyCRGTXFHTIVQSPU-UHFFFAOYSA-N
MW619.77 g/mol
LogP10.24
Rot. Bonds6

About 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 144734393) has the molecular formula C43H33N5 and a molecular weight of 619.77 g/mol. Its IUPAC name is 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID144734393
Molecular FormulaC43H33N5
Molecular Weight619.77 g/mol
Exact Mass619.27
IUPAC Name2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(C)nc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4C=CCC5)c3)c2)n1
InChIInChI=1S/C43H33N5/c1-28-23-29(2)45-42(44-28)34-20-11-19-33(24-34)35-25-36(39-22-12-18-30-13-9-10-21-38(30)39)27-37(26-35)43-47-40(31-14-5-3-6-15-31)46-41(48-43)32-16-7-4-8-17-32/h3-8,10-12,14-27H,9,13H2,1-2H3
InChIKeyCRGTXFHTIVQSPU-UHFFFAOYSA-N
XLogP10.24
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 144734254
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 144734376
2-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 170008977
2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 122416438
2-(3,5-diphenylphenyl)-4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 160680702
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606668
4-(3,5-diphenylphenyl)-1H-indene
CID 22471910
9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole
CID 144834685
2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292630
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170022525
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 144734393) is 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1cc(C)nc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4C=CCC5)c3)c2)n1.
What is the InChIKey of 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is CRGTXFHTIVQSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5/c1-28-23-29(2)45-42(44-28)34-20-11-19-33(24-34)35-25-36(39-22-12-18-30-13-9-10-21-38(30)39)27-37(26-35)43-47-40(31-14-5-3-6-15-31)46-41(48-43)32-16-7-4-8-17-32/h3-8,10-12,14-27H,9,13H2,1-2H3.
What are the key properties of 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 619.77 g/mol, XLogP of 10.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 144734393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).