2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine

C55H33N3O2S — CID 167008444

IUPAC2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
SMILESC1=Cc2c(oc3cccc(-c4ccc5oc6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc%10c9sc9ccccc9%10)n8)c8ccccc78)c6c5c4)c23)CC1
InChIInChI=1S/C55H33N3O2S/c1-2-13-32(14-3-1)53-56-54(58-55(57-53)43-22-10-21-40-38-17-7-9-26-49(38)61-52(40)43)41-29-28-37(35-15-4-5-16-36(35)41)39-20-12-25-48-51(39)44-31-33(27-30-46(44)60-48)34-19-11-24-47-50(34)42-18-6-8-23-45(42)59-47/h1-7,9-22,24-31H,8,23H2
InChIKeyKMNZPEUAIMKHAB-UHFFFAOYSA-N
MW799.96 g/mol
LogP15.33
Rot. Bonds5

About 2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine

2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 167008444) has the molecular formula C55H33N3O2S and a molecular weight of 799.96 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID167008444
Molecular FormulaC55H33N3O2S
Molecular Weight799.96 g/mol
Exact Mass799.23
IUPAC Name2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
SMILESC1=Cc2c(oc3cccc(-c4ccc5oc6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc%10c9sc9ccccc9%10)n8)c8ccccc78)c6c5c4)c23)CC1
InChIInChI=1S/C55H33N3O2S/c1-2-13-32(14-3-1)53-56-54(58-55(57-53)43-22-10-21-40-38-17-7-9-26-49(38)61-52(40)43)41-29-28-37(35-15-4-5-16-36(35)41)39-20-12-25-48-51(39)44-31-33(27-30-46(44)60-48)34-19-11-24-47-50(34)42-18-6-8-23-45(42)59-47/h1-7,9-22,24-31H,8,23H2
InChIKeyKMNZPEUAIMKHAB-UHFFFAOYSA-N
XLogP15.33
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.96
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170424026
2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139549065
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(8-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 140946239
2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 118507834
2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159898357
2-dibenzothiophen-4-yl-4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723733
2-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952247
2-dibenzothiophen-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952521
2-(8-chrysen-6-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 134198571
2-(2-dibenzothiophen-4-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-9-yl)-6-phenyl-1,3,5-triazine
CID 167007336
2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017751

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine (CID 167008444) is 2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine is C1=Cc2c(oc3cccc(-c4ccc5oc6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc%10c9sc9ccccc9%10)n8)c8ccccc78)c6c5c4)c23)CC1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is KMNZPEUAIMKHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O2S/c1-2-13-32(14-3-1)53-56-54(58-55(57-53)43-22-10-21-40-38-17-7-9-26-49(38)61-52(40)43)41-29-28-37(35-15-4-5-16-36(35)41)39-20-12-25-48-51(39)44-31-33(27-30-46(44)60-48)34-19-11-24-47-50(34)42-18-6-8-23-45(42)59-47/h1-7,9-22,24-31H,8,23H2.
What are the key properties of 2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 799.96 g/mol, XLogP of 15.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167008444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).