2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine

C48H31N3S — CID 176632760

IUPAC2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine
SMILESC1=Cc2c(cccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)c4ccccc34)n2)C(c2ccccc2)=CC1
InChIInChI=1S/C48H31N3S/c1-3-14-31(15-4-1)34-18-7-8-20-38-37(34)23-13-24-41(38)47-49-46(32-16-5-2-6-17-32)50-48(51-47)42-28-27-35(36-19-9-10-21-39(36)42)33-26-29-45-43(30-33)40-22-11-12-25-44(40)52-45/h1-6,8-30H,7H2
InChIKeyBVINSZAIDWHXPG-UHFFFAOYSA-N
MW681.86 g/mol
LogP12.91
Rot. Bonds5

About 2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine

2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine (PubChem CID 176632760) has the molecular formula C48H31N3S and a molecular weight of 681.86 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine
PubChem CID176632760
Molecular FormulaC48H31N3S
Molecular Weight681.86 g/mol
Exact Mass681.22
IUPAC Name2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine
SMILESC1=Cc2c(cccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)c4ccccc34)n2)C(c2ccccc2)=CC1
InChIInChI=1S/C48H31N3S/c1-3-14-31(15-4-1)34-18-7-8-20-38-37(34)23-13-24-41(38)47-49-46(32-16-5-2-6-17-32)50-48(51-47)42-28-27-35(36-19-9-10-21-39(36)42)33-26-29-45-43(30-33)40-22-11-12-25-44(40)52-45/h1-6,8-30H,7H2
InChIKeyBVINSZAIDWHXPG-UHFFFAOYSA-N
XLogP12.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.86
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-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-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509591
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
2-chrysen-1-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 168795993
2-dibenzothiophen-2-yl-4-(4-phenanthren-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169278832
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402474
2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146648181
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267
2-[4-[4-(4-dibenzothiophen-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[4-[4-(4-dibenzothiophen-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[4-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[4-[4-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167580136
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
2-dibenzothiophen-4-yl-4-[4-(3-phenylphenyl)naphthalen-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481333

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine (CID 176632760) is 2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine is C1=Cc2c(cccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)c4ccccc34)n2)C(c2ccccc2)=CC1.
What is the InChIKey of 2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine?
The InChIKey is BVINSZAIDWHXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3S/c1-3-14-31(15-4-1)34-18-7-8-20-38-37(34)23-13-24-41(38)47-49-46(32-16-5-2-6-17-32)50-48(51-47)42-28-27-35(36-19-9-10-21-39(36)42)33-26-29-45-43(30-33)40-22-11-12-25-44(40)52-45/h1-6,8-30H,7H2.
What are the key properties of 2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine?
2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine has a molecular weight of 681.86 g/mol, XLogP of 12.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenyl-7H-benzo[7]annulen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 176632760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).