2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine

C49H31N3S — CID 177278776

IUPAC2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2c(-c3nc(-c4cccc(-c5ccc(-c6ccccc6)c6ccccc56)c4)nc(-c4cc5ccccc5s4)n3)ccc3ccccc23)cc1
InChIInChI=1S/C49H31N3S/c1-3-14-32(15-4-1)38-28-29-39(42-24-11-10-23-41(38)42)35-20-13-21-37(30-35)47-50-48(52-49(51-47)45-31-36-19-8-12-25-44(36)53-45)43-27-26-33-16-7-9-22-40(33)46(43)34-17-5-2-6-18-34/h1-31H
InChIKeyBTUKDXLQNWGLGA-UHFFFAOYSA-N
MW693.88 g/mol
LogP13.39
Rot. Bonds6

About 2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine

2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine (PubChem CID 177278776) has the molecular formula C49H31N3S and a molecular weight of 693.88 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
PubChem CID177278776
Molecular FormulaC49H31N3S
Molecular Weight693.88 g/mol
Exact Mass693.22
IUPAC Name2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2c(-c3nc(-c4cccc(-c5ccc(-c6ccccc6)c6ccccc56)c4)nc(-c4cc5ccccc5s4)n3)ccc3ccccc23)cc1
InChIInChI=1S/C49H31N3S/c1-3-14-32(15-4-1)38-28-29-39(42-24-11-10-23-41(38)42)35-20-13-21-37(30-35)47-50-48(52-49(51-47)45-31-36-19-8-12-25-44(36)53-45)43-27-26-33-16-7-9-22-40(33)46(43)34-17-5-2-6-18-34/h1-31H
InChIKeyBTUKDXLQNWGLGA-UHFFFAOYSA-N
XLogP13.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.88
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-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-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 146246095
2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146186744
2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 157358574
2-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 146183675
2-(1-benzothiophen-2-yl)-4-naphthalen-2-yl-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine
CID 156562361
2-(1-phenylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632434
2-(1-benzothiophen-2-yl)-4-dibenzothiophen-4-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 146183251
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442114
2-[1-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277443
2-[1-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277694
2-(1-benzothiophen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146183552
2-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1-benzothiophene
CID 59866469

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine (CID 177278776) is 2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine is c1ccc(-c2c(-c3nc(-c4cccc(-c5ccc(-c6ccccc6)c6ccccc56)c4)nc(-c4cc5ccccc5s4)n3)ccc3ccccc23)cc1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?
The InChIKey is BTUKDXLQNWGLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3S/c1-3-14-32(15-4-1)38-28-29-39(42-24-11-10-23-41(38)42)35-20-13-21-37(30-35)47-50-48(52-49(51-47)45-31-36-19-8-12-25-44(36)53-45)43-27-26-33-16-7-9-22-40(33)46(43)34-17-5-2-6-18-34/h1-31H.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?
2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine has a molecular weight of 693.88 g/mol, XLogP of 13.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 177278776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).