4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole

C50H30N4OS — CID 167127665

IUPAC4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4c5sc(-c6ccc7ccccc7c6)nc5cc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C50H30N4OS/c1-3-11-31(12-4-1)34-19-24-36(25-20-34)47-52-48(37-26-21-35(22-27-37)32-13-5-2-6-14-32)54-49(53-47)45-44-40-17-9-10-18-42(40)55-43(44)30-41-46(45)56-50(51-41)39-28-23-33-15-7-8-16-38(33)29-39/h1-30H
InChIKeyXURIOVXFEYBJPM-UHFFFAOYSA-N
MW734.88 g/mol
LogP13.54
Rot. Bonds6

About 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole

4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole (PubChem CID 167127665) has the molecular formula C50H30N4OS and a molecular weight of 734.88 g/mol. Its IUPAC name is 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole.

Molecular Properties

Compound Name4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole
PubChem CID167127665
Molecular FormulaC50H30N4OS
Molecular Weight734.88 g/mol
Exact Mass734.21
IUPAC Name4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4c5sc(-c6ccc7ccccc7c6)nc5cc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C50H30N4OS/c1-3-11-31(12-4-1)34-19-24-36(25-20-34)47-52-48(37-26-21-35(22-27-37)32-13-5-2-6-14-32)54-49(53-47)45-44-40-17-9-10-18-42(40)55-43(44)30-41-46(45)56-50(51-41)39-28-23-33-15-7-8-16-38(33)29-39/h1-30H
InChIKeyXURIOVXFEYBJPM-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-naphthalen-2-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167129012
4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167129015
2-naphthalen-2-yl-4-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167130165
2-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
4-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171456477
N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-4-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 167128572
2-naphthalen-2-yl-4-(1-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176616808
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-naphthalen-2-yl-4-phenyl-6-[1-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 163653922
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazol-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167128431

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole?
The IUPAC name of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole (CID 167127665) is 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole.
What is the SMILES notation for 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole?
The canonical SMILES for 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4c5sc(-c6ccc7ccccc7c6)nc5cc5oc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole?
The InChIKey is XURIOVXFEYBJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4OS/c1-3-11-31(12-4-1)34-19-24-36(25-20-34)47-52-48(37-26-21-35(22-27-37)32-13-5-2-6-14-32)54-49(53-47)45-44-40-17-9-10-18-42(40)55-43(44)30-41-46(45)56-50(51-41)39-28-23-33-15-7-8-16-38(33)29-39/h1-30H.
What are the key properties of 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole?
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-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 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole is sourced from PubChem (CID 167127665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).