1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine

C55H36N4S — CID 171757058

IUPAC1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4)c4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C55H36N4S/c1-5-15-37(16-6-1)38-29-31-46(32-30-38)59(45-21-11-4-12-22-45)47-35-49(52-48-23-13-14-24-50(48)60-51(52)36-47)43-27-25-42-34-44(28-26-41(42)33-43)55-57-53(39-17-7-2-8-18-39)56-54(58-55)40-19-9-3-10-20-40/h1-36H
InChIKeyCRHOLQKXRHXYCF-UHFFFAOYSA-N
MW784.99 g/mol
LogP15.20
Rot. Bonds8

About 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine

1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 171757058) has the molecular formula C55H36N4S and a molecular weight of 784.99 g/mol. Its IUPAC name is 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound Name1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID171757058
Molecular FormulaC55H36N4S
Molecular Weight784.99 g/mol
Exact Mass784.27
IUPAC Name1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4)c4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C55H36N4S/c1-5-15-37(16-6-1)38-29-31-46(32-30-38)59(45-21-11-4-12-22-45)47-35-49(52-48-23-13-14-24-50(48)60-51(52)36-47)43-27-25-42-34-44(28-26-41(42)33-43)55-57-53(39-17-7-2-8-18-39)56-54(58-55)40-19-9-3-10-20-40/h1-36H
InChIKeyCRHOLQKXRHXYCF-UHFFFAOYSA-N
XLogP15.20
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.99
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine 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

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 162775198
2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176854014
2-phenyl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850299
N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 171727214
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328334
2-(1-phenanthren-2-yldibenzothiophen-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174328600
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-4-phenylaniline
CID 170038269
1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853769
2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine
CID 174328840
2-dibenzothiophen-3-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 156673310
2-phenyl-4-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378557

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 171757058) is 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4)c4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is CRHOLQKXRHXYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4S/c1-5-15-37(16-6-1)38-29-31-46(32-30-38)59(45-21-11-4-12-22-45)47-35-49(52-48-23-13-14-24-50(48)60-51(52)36-47)43-27-25-42-34-44(28-26-41(42)33-43)55-57-53(39-17-7-2-8-18-39)56-54(58-55)40-19-9-3-10-20-40/h1-36H.
What are the key properties of 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine?
1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 784.99 g/mol, XLogP of 15.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 171757058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).