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

C55H38N6OS — CID 142453141

IUPAC2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
SMILESCN1C(c2ccccc2)N=C(c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cc4sc5ccccc5c34)cc2)NC1c1ccccc1
InChIInChI=1S/C55H38N6OS/c1-61-54(37-18-7-3-8-19-37)59-51(60-55(61)38-20-9-4-10-21-38)36-30-28-34(29-31-36)44-32-39(33-47-48(44)42-23-12-14-27-46(42)63-47)52-56-50(35-16-5-2-6-17-35)57-53(58-52)43-25-15-24-41-40-22-11-13-26-45(40)62-49(41)43/h2-33,54-55H,1H3,(H,59,60)
InChIKeyZWWGDHQIJWADKU-UHFFFAOYSA-N
MW831.02 g/mol
LogP13.49
Rot. Bonds7

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

2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine (PubChem CID 142453141) has the molecular formula C55H38N6OS and a molecular weight of 831.02 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
PubChem CID142453141
Molecular FormulaC55H38N6OS
Molecular Weight831.02 g/mol
Exact Mass830.28
IUPAC Name2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
SMILESCN1C(c2ccccc2)N=C(c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cc4sc5ccccc5c34)cc2)NC1c1ccccc1
InChIInChI=1S/C55H38N6OS/c1-61-54(37-18-7-3-8-19-37)59-51(60-55(61)38-20-9-4-10-21-38)36-30-28-34(29-31-36)44-32-39(33-47-48(44)42-23-12-14-27-46(42)63-47)52-56-50(35-16-5-2-6-17-35)57-53(58-52)43-25-15-24-41-40-22-11-13-26-45(40)62-49(41)43/h2-33,54-55H,1H3,(H,59,60)
InChIKeyZWWGDHQIJWADKU-UHFFFAOYSA-N
XLogP13.49
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.02
LogP ≤ 513.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 153289611
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170204172
2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378841
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 154949233
2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079038
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 176831328
2-phenyl-4-[6-(1-phenyldibenzothiophen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200466
2-dibenzothiophen-1-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853629
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 153289598
2-dibenzofuran-4-yl-4-phenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198584

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine (CID 142453141) is 2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine is CN1C(c2ccccc2)N=C(c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)cc4sc5ccccc5c34)cc2)NC1c1ccccc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is ZWWGDHQIJWADKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N6OS/c1-61-54(37-18-7-3-8-19-37)59-51(60-55(61)38-20-9-4-10-21-38)36-30-28-34(29-31-36)44-32-39(33-47-48(44)42-23-12-14-27-46(42)63-47)52-56-50(35-16-5-2-6-17-35)57-53(58-52)43-25-15-24-41-40-22-11-13-26-45(40)62-49(41)43/h2-33,54-55H,1H3,(H,59,60).
What are the key properties of 2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 831.02 g/mol, XLogP of 13.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[1-[4-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 142453141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).