2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole

C44H26N4S2 — CID 171455869

IUPAC2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5c6nc(-c7ccccc7)sc6cc6c5sc5ccccc56)n4)ccc3c2)cc1
InChIInChI=1S/C44H26N4S2/c1-4-12-27(13-5-1)30-20-21-32-25-33(23-22-31(32)24-30)42-46-41(28-14-6-2-7-15-28)47-43(48-42)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
InChIKeyDMJZRPNJGCVDNV-UHFFFAOYSA-N
MW674.85 g/mol
LogP12.34
Rot. Bonds5

About 2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole

2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole (PubChem CID 171455869) has the molecular formula C44H26N4S2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole.

Molecular Properties

Compound Name2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole
PubChem CID171455869
Molecular FormulaC44H26N4S2
Molecular Weight674.85 g/mol
Exact Mass674.16
IUPAC Name2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5c6nc(-c7ccccc7)sc6cc6c5sc5ccccc56)n4)ccc3c2)cc1
InChIInChI=1S/C44H26N4S2/c1-4-12-27(13-5-1)30-20-21-32-25-33(23-22-31(32)24-30)42-46-41(28-14-6-2-7-15-28)47-43(48-42)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
InChIKeyDMJZRPNJGCVDNV-UHFFFAOYSA-N
XLogP12.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171456364
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-dibenzothiophen-3-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 156673310
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442046
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-(3-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-5-yl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176853898
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-dibenzothiophen-4-yl-4-(3-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442031
N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine
CID 171455958
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
10-[4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazole
CID 171455348
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441659

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole?
The IUPAC name of 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) is 2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole.
What is the SMILES notation for 2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole?
The canonical SMILES for 2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5c6nc(-c7ccccc7)sc6cc6c5sc5ccccc56)n4)ccc3c2)cc1.
What is the InChIKey of 2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole?
The InChIKey is DMJZRPNJGCVDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4S2/c1-4-12-27(13-5-1)30-20-21-32-25-33(23-22-31(32)24-30)42-46-41(28-14-6-2-7-15-28)47-43(48-42)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 2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole?
2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole has a molecular weight of 674.85 g/mol, XLogP of 12.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-10-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole is sourced from PubChem (CID 171455869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).