6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine

C41H27N3S — CID 174310067

IUPAC6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3cccc4sc5c6ccccc6ccc5c34)N=C(c3ccc(-c4ccc5ccccc5c4)cc3)N2)cc1
InChIInChI=1S/C41H27N3S/c1-2-11-29(12-3-1)39-42-40(30-20-17-27(18-21-30)32-22-19-26-9-4-5-13-31(26)25-32)44-41(43-39)35-15-8-16-36-37(35)34-24-23-28-10-6-7-14-33(28)38(34)45-36/h1-25,39H,(H,42,43,44)
InChIKeyLDJGWMGMUZLTHI-UHFFFAOYSA-N
MW593.76 g/mol
LogP10.52
Rot. Bonds4

About 6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine

6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 174310067) has the molecular formula C41H27N3S and a molecular weight of 593.76 g/mol. Its IUPAC name is 6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
PubChem CID174310067
Molecular FormulaC41H27N3S
Molecular Weight593.76 g/mol
Exact Mass593.19
IUPAC Name6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3cccc4sc5c6ccccc6ccc5c34)N=C(c3ccc(-c4ccc5ccccc5c4)cc3)N2)cc1
InChIInChI=1S/C41H27N3S/c1-2-11-29(12-3-1)39-42-40(30-20-17-27(18-21-30)32-22-19-26-9-4-5-13-31(26)25-32)44-41(43-39)35-15-8-16-36-37(35)34-24-23-28-10-6-7-14-33(28)38(34)45-36/h1-25,39H,(H,42,43,44)
InChIKeyLDJGWMGMUZLTHI-UHFFFAOYSA-N
XLogP10.52
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.76
LogP ≤ 510.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine
CID 147640194
4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574841
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
10-carbazol-9-yl-1-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 159682498
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
9-(4-naphthalen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 163683449
9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzothiol-8-yl-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
CID 163655707
4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466
2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 142453353
9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine
CID 166801972
2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 174322101
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166867441

Frequently Asked Questions

What is the IUPAC name of 6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine (CID 174310067) is 6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2N=C(c3cccc4sc5c6ccccc6ccc5c34)N=C(c3ccc(-c4ccc5ccccc5c4)cc3)N2)cc1.
What is the InChIKey of 6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is LDJGWMGMUZLTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3S/c1-2-11-29(12-3-1)39-42-40(30-20-17-27(18-21-30)32-22-19-26-9-4-5-13-31(26)25-32)44-41(43-39)35-15-8-16-36-37(35)34-24-23-28-10-6-7-14-33(28)38(34)45-36/h1-25,39H,(H,42,43,44).
What are the key properties of 6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 593.76 g/mol, XLogP of 10.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 174310067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).