6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole

C34H24N4S — CID 153310071

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole
SMILESC1=c2sc(-c3ccccc3)nc2=C(c2ccccc2)CC1c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C34H24N4S/c1-5-13-23(14-6-1)28-21-27(22-29-30(28)35-34(39-29)26-19-11-4-12-20-26)33-37-31(24-15-7-2-8-16-24)36-32(38-33)25-17-9-3-10-18-25/h1-20,22,27H,21H2
InChIKeyOKIVOGOOYFJIGZ-UHFFFAOYSA-N
MW520.66 g/mol
LogP6.50
Rot. Bonds5

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole (PubChem CID 153310071) has the molecular formula C34H24N4S and a molecular weight of 520.66 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole
PubChem CID153310071
Molecular FormulaC34H24N4S
Molecular Weight520.66 g/mol
Exact Mass520.17
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole
SMILESC1=c2sc(-c3ccccc3)nc2=C(c2ccccc2)CC1c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C34H24N4S/c1-5-13-23(14-6-1)28-21-27(22-29-30(28)35-34(39-29)26-19-11-4-12-20-26)33-37-31(24-15-7-2-8-16-24)36-32(38-33)25-17-9-3-10-18-25/h1-20,22,27H,21H2
InChIKeyOKIVOGOOYFJIGZ-UHFFFAOYSA-N
XLogP6.50
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.66
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole with MolForge

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Related Compounds

2-cyclopropyl-4,6-diphenyl-1,3,5-triazine
CID 135273812
2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 134186431
4-[4-[4-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzothiazole
CID 171716869
2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 142615062
9-[4-[4-(2,3-dihydrodibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162363010
2-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 153310249
2-ethynyl-4,6-diphenyl-1,3,5-triazine
CID 146852483
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 148856781
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenanthro[9,10-d][1,3]thiazole
CID 163737233
2-[3-(1,3-benzothiazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzothiazole
CID 176740300
2,5-diphenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 155543719
2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192008

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole (CID 153310071) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole is C1=c2sc(-c3ccccc3)nc2=C(c2ccccc2)CC1c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole?
The InChIKey is OKIVOGOOYFJIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N4S/c1-5-13-23(14-6-1)28-21-27(22-29-30(28)35-34(39-29)26-19-11-4-12-20-26)33-37-31(24-15-7-2-8-16-24)36-32(38-33)25-17-9-3-10-18-25/h1-20,22,27H,21H2.
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole has a molecular weight of 520.66 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-5,6-dihydro-1,3-benzothiazole is sourced from PubChem (CID 153310071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).