10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole

C44H26N4OS — CID 167128791

IUPAC10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5c6nc(-c7ccccc7)sc6cc6c5oc5ccccc56)ccc4c3)n2)cc1
InChIInChI=1S/C44H26N4OS/c1-4-12-27(13-5-1)41-46-42(28-14-6-2-7-15-28)48-43(47-41)33-23-21-30-24-32(22-20-31(30)25-33)38-39-37(50-44(45-39)29-16-8-3-9-17-29)26-35-34-18-10-11-19-36(34)49-40(35)38/h1-26H
InChIKeyBHBAJNLRKPMMAN-UHFFFAOYSA-N
MW658.79 g/mol
LogP11.87
Rot. Bonds5

About 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole

10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole (PubChem CID 167128791) has the molecular formula C44H26N4OS and a molecular weight of 658.79 g/mol. Its IUPAC name is 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole.

Molecular Properties

Compound Name10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole
PubChem CID167128791
Molecular FormulaC44H26N4OS
Molecular Weight658.79 g/mol
Exact Mass658.18
IUPAC Name10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5c6nc(-c7ccccc7)sc6cc6c5oc5ccccc56)ccc4c3)n2)cc1
InChIInChI=1S/C44H26N4OS/c1-4-12-27(13-5-1)41-46-42(28-14-6-2-7-15-28)48-43(47-41)33-23-21-30-24-32(22-20-31(30)25-33)38-39-37(50-44(45-39)29-16-8-3-9-17-29)26-35-34-18-10-11-19-36(34)49-40(35)38/h1-26H
InChIKeyBHBAJNLRKPMMAN-UHFFFAOYSA-N
XLogP11.87
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.79
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole with MolForge

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Related Compounds

2-(4-phenylphenyl)-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167130159
2-(4-phenylphenyl)-10-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167130175
2-naphthalen-2-yl-10-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167127363
2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167130179
2-(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127566
2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171455869
18-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-11-oxa-6-thia-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177086127
2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167128038
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167129871
2-naphthalen-2-yl-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
CID 170211717
10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 170776778

Frequently Asked Questions

What is the IUPAC name of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole?
The IUPAC name of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole (CID 167128791) is 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole.
What is the SMILES notation for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole?
The canonical SMILES for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5c6nc(-c7ccccc7)sc6cc6c5oc5ccccc56)ccc4c3)n2)cc1.
What is the InChIKey of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole?
The InChIKey is BHBAJNLRKPMMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4OS/c1-4-12-27(13-5-1)41-46-42(28-14-6-2-7-15-28)48-43(47-41)33-23-21-30-24-32(22-20-31(30)25-33)38-39-37(50-44(45-39)29-16-8-3-9-17-29)26-35-34-18-10-11-19-36(34)49-40(35)38/h1-26H.
What are the key properties of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole?
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole has a molecular weight of 658.79 g/mol, XLogP of 11.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole is sourced from PubChem (CID 167128791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).