4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine

C46H40N6 — CID 174298006

IUPAC4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(C2=CCCC=C2)=NC1c1ccc(-c2ccc3ccc(-c4ccc(C5NNC(c6ccccc6)N5)cc4)cc3c2)cc1
InChIInChI=1S/C46H40N6/c1-52-45(37-15-9-4-10-16-37)48-42(34-11-5-2-6-12-34)49-46(52)38-25-19-32(20-26-38)40-28-22-33-21-27-39(29-41(33)30-40)31-17-23-36(24-18-31)44-47-43(50-51-44)35-13-7-3-8-14-35/h3-5,7-30,43-44,46-47,50-51H,2,6H2,1H3
InChIKeyJMYHUOULEUQIIG-UHFFFAOYSA-N
MW676.87 g/mol
LogP9.63
Rot. Bonds7

About 4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine

4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine (PubChem CID 174298006) has the molecular formula C46H40N6 and a molecular weight of 676.87 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine
PubChem CID174298006
Molecular FormulaC46H40N6
Molecular Weight676.87 g/mol
Exact Mass676.33
IUPAC Name4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(C2=CCCC=C2)=NC1c1ccc(-c2ccc3ccc(-c4ccc(C5NNC(c6ccccc6)N5)cc4)cc3c2)cc1
InChIInChI=1S/C46H40N6/c1-52-45(37-15-9-4-10-16-37)48-42(34-11-5-2-6-12-34)49-46(52)38-25-19-32(20-26-38)40-28-22-33-21-27-39(29-41(33)30-40)31-17-23-36(24-18-31)44-47-43(50-51-44)35-13-7-3-8-14-35/h3-5,7-30,43-44,46-47,50-51H,2,6H2,1H3
InChIKeyJMYHUOULEUQIIG-UHFFFAOYSA-N
XLogP9.63
TPSA64.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.87
LogP ≤ 59.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine 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-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139551278
4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine
CID 130180907
1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine
CID 122431241
4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile
CID 163672224
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine
CID 142593018
4-[3-[difluoro-(3-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)methyl]phenyl]-1-methyl-2,6-diphenyl-2H-1,3,5-triazine
CID 135247209
6-cyclohexa-1,5-dien-1-yl-2-dibenzothiophen-3-yl-1-methyl-4-(4-spiro[9H-anthracene-10,9'-fluorene]-2-ylphenyl)-2H-1,3,5-triazine
CID 174344480
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 142451993

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine (CID 174298006) is 4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine is CN1C(c2ccccc2)=NC(C2=CCCC=C2)=NC1c1ccc(-c2ccc3ccc(-c4ccc(C5NNC(c6ccccc6)N5)cc4)cc3c2)cc1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine?
The InChIKey is JMYHUOULEUQIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N6/c1-52-45(37-15-9-4-10-16-37)48-42(34-11-5-2-6-12-34)49-46(52)38-25-19-32(20-26-38)40-28-22-33-21-27-39(29-41(33)30-40)31-17-23-36(24-18-31)44-47-43(50-51-44)35-13-7-3-8-14-35/h3-5,7-30,43-44,46-47,50-51H,2,6H2,1H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine?
4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine has a molecular weight of 676.87 g/mol, XLogP of 9.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine is sourced from PubChem (CID 174298006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).