2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine

C51H31N3S — CID 155481410

IUPAC2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccccc3c2-c2nc(-c3c(-c4cccc5ccccc45)ccc4ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C51H31N3S/c1-2-14-33(15-3-1)39-30-28-34-17-5-8-21-37(34)46(39)50-52-49(44-26-13-25-43-41-23-10-11-27-45(41)55-48(43)44)53-51(54-50)47-38-22-9-6-18-35(38)29-31-42(47)40-24-12-19-32-16-4-7-20-36(32)40/h1-31H
InChIKeyAEUZFUBATFQFLP-UHFFFAOYSA-N
MW717.90 g/mol
LogP14.03
Rot. Bonds5

About 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 155481410) has the molecular formula C51H31N3S and a molecular weight of 717.90 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID155481410
Molecular FormulaC51H31N3S
Molecular Weight717.90 g/mol
Exact Mass717.22
IUPAC Name2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccccc3c2-c2nc(-c3c(-c4cccc5ccccc45)ccc4ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C51H31N3S/c1-2-14-33(15-3-1)39-30-28-34-17-5-8-21-37(34)46(39)50-52-49(44-26-13-25-43-41-23-10-11-27-45(41)55-48(43)44)53-51(54-50)47-38-22-9-6-18-35(38)29-31-42(47)40-24-12-19-32-16-4-7-20-36(32)40/h1-31H
InChIKeyAEUZFUBATFQFLP-UHFFFAOYSA-N
XLogP14.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.90
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine 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-dibenzothiophen-4-yl-4,6-bis(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155480714
2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139442293
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 139442223
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139441932
2,4-di(dibenzothiophen-4-yl)-6-[3-naphthalen-1-yl-6-phenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349136
2,4-di(dibenzothiophen-4-yl)-6-[2-(2-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 167349176
2-dibenzothiophen-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 139441619
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-[7-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155480726
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442114
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442322
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
CID 139441633
2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 139441789

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 155481410) is 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc3ccccc3c2-c2nc(-c3c(-c4cccc5ccccc45)ccc4ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is AEUZFUBATFQFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3S/c1-2-14-33(15-3-1)39-30-28-34-17-5-8-21-37(34)46(39)50-52-49(44-26-13-25-43-41-23-10-11-27-45(41)55-48(43)44)53-51(54-50)47-38-22-9-6-18-35(38)29-31-42(47)40-24-12-19-32-16-4-7-20-36(32)40/h1-31H.
What are the key properties of 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 717.90 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 155481410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).