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

C50H30N4OS — CID 167130175

IUPAC2-(4-phenylphenyl)-10-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2ccc(-c3nc4c(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)c7ccccc7c6)n5)c5oc6ccccc6c5cc4s3)cc2)cc1
InChIInChI=1S/C50H30N4OS/c1-4-14-31(15-5-1)32-24-26-35(27-25-32)50-51-45-43(56-50)30-41-39-22-12-13-23-42(39)55-46(41)44(45)49-53-47(34-18-8-3-9-19-34)52-48(54-49)37-28-36-20-10-11-21-38(36)40(29-37)33-16-6-2-7-17-33/h1-30H
InChIKeyNXVLHESHIJXFGT-UHFFFAOYSA-N
MW734.88 g/mol
LogP13.54
Rot. Bonds6

About 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

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 (PubChem CID 167130175) has the molecular formula C50H30N4OS and a molecular weight of 734.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(4-phenylphenyl)-10-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
PubChem CID167130175
Molecular FormulaC50H30N4OS
Molecular Weight734.88 g/mol
Exact Mass734.21
IUPAC Name2-(4-phenylphenyl)-10-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2ccc(-c3nc4c(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)c7ccccc7c6)n5)c5oc6ccccc6c5cc4s3)cc2)cc1
InChIInChI=1S/C50H30N4OS/c1-4-14-31(15-5-1)32-24-26-35(27-25-32)50-51-45-43(56-50)30-41-39-22-12-13-23-42(39)55-46(41)44(45)49-53-47(34-18-8-3-9-19-34)52-48(54-49)37-28-36-20-10-11-21-38(36)40(29-37)33-16-6-2-7-17-33/h1-30H
InChIKeyNXVLHESHIJXFGT-UHFFFAOYSA-N
XLogP13.54
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.88
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
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
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-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-dibenzofuran-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155481098
2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155763992
2-dibenzofuran-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155480745
2-phenyl-5-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167129217
2-chloro-4-(2-phenyldibenzofuran-4-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177278863
2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc4c(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)c7ccccc7c6)n5)c5oc6ccccc6c5cc4s3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is NXVLHESHIJXFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4OS/c1-4-14-31(15-5-1)32-24-26-35(27-25-32)50-51-45-43(56-50)30-41-39-22-12-13-23-42(39)55-46(41)44(45)49-53-47(34-18-8-3-9-19-34)52-48(54-49)37-28-36-20-10-11-21-38(36)40(29-37)33-16-6-2-7-17-33/h1-30H.
What are the key properties of 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?
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 has a molecular weight of 734.88 g/mol, XLogP of 13.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167130175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).