2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C62H44N6S — CID 154955591

IUPAC2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cccc(-c2cccc3c2sc2c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc(-c4cccc(C5=NC(c6ccccc6)=NC(c6cccc(C)c6)N5)c4)cc23)c1
InChIInChI=1S/C62H44N6S/c1-39-16-12-25-47(34-39)51-28-15-29-52-54-38-50(46-24-14-27-49(36-46)62-67-59(44-22-10-5-11-23-44)66-61(68-62)48-26-13-17-40(2)35-48)37-53(56(54)69-55(51)52)41-30-32-45(33-31-41)60-64-57(42-18-6-3-7-19-42)63-58(65-60)43-20-8-4-9-21-43/h3-38,61H,1-2H3,(H,66,67,68)
InChIKeyURZMRDAJJKKALL-UHFFFAOYSA-N
MW905.14 g/mol
LogP15.35
Rot. Bonds9

About 2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 154955591) has the molecular formula C62H44N6S and a molecular weight of 905.14 g/mol. Its IUPAC name is 2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID154955591
Molecular FormulaC62H44N6S
Molecular Weight905.14 g/mol
Exact Mass904.33
IUPAC Name2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cccc(-c2cccc3c2sc2c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc(-c4cccc(C5=NC(c6ccccc6)=NC(c6cccc(C)c6)N5)c4)cc23)c1
InChIInChI=1S/C62H44N6S/c1-39-16-12-25-47(34-39)51-28-15-29-52-54-38-50(46-24-14-27-49(36-46)62-67-59(44-22-10-5-11-23-44)66-61(68-62)48-26-13-17-40(2)35-48)37-53(56(54)69-55(51)52)41-30-32-45(33-31-41)60-64-57(42-18-6-3-7-19-42)63-58(65-60)43-20-8-4-9-21-43/h3-38,61H,1-2H3,(H,66,67,68)
InChIKeyURZMRDAJJKKALL-UHFFFAOYSA-N
XLogP15.35
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.14
LogP ≤ 515.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(2,6-diphenyldibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156574562
2-[3-(6,8-diphenyldibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164838378
2,4-diphenyl-6-[3-[3-[2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-1,3,5-triazine
CID 166022884
4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574841
2-(3-dibenzothiophen-4-ylphenyl)-4-[4-(3-methylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170201940
2-phenyl-4-(3-phenylphenyl)-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650922
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860
4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
CID 154940521
2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 118650954
2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174267888
2,4-diphenyl-6-[3-phenyl-5-[6-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650920
2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163582620

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 154955591) is 2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1cccc(-c2cccc3c2sc2c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc(-c4cccc(C5=NC(c6ccccc6)=NC(c6cccc(C)c6)N5)c4)cc23)c1.
What is the InChIKey of 2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is URZMRDAJJKKALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N6S/c1-39-16-12-25-47(34-39)51-28-15-29-52-54-38-50(46-24-14-27-49(36-46)62-67-59(44-22-10-5-11-23-44)66-61(68-62)48-26-13-17-40(2)35-48)37-53(56(54)69-55(51)52)41-30-32-45(33-31-41)60-64-57(42-18-6-3-7-19-42)63-58(65-60)43-20-8-4-9-21-43/h3-38,61H,1-2H3,(H,66,67,68).
What are the key properties of 2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 905.14 g/mol, XLogP of 15.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 154955591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).