2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine

C55H35N3S2 — CID 148742636

IUPAC2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
SMILESC1=CC2c3cccc4c(-c5ccc6sc7c(c6c5)=C(c5cccc(-c6nc(-c8ccccc8)nc(-c8ccc9c(c8)sc8ccccc89)n6)c5)CCC=7)ccc(c34)C2C=C1
InChIInChI=1S/C55H35N3S2/c1-2-11-32(12-3-1)53-56-54(58-55(57-53)36-23-25-42-41-17-6-7-21-47(41)60-50(42)31-36)35-14-8-13-33(29-35)38-18-10-22-49-52(38)46-30-34(24-28-48(46)59-49)37-26-27-45-40-16-5-4-15-39(40)44-20-9-19-43(37)51(44)45/h1-9,11-17,19-31,39-40H,10,18H2
InChIKeyODDFOJOJEIXDMF-UHFFFAOYSA-N
MW802.04 g/mol
LogP13.36
Rot. Bonds5

About 2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine

2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 148742636) has the molecular formula C55H35N3S2 and a molecular weight of 802.04 g/mol. Its IUPAC name is 2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
PubChem CID148742636
Molecular FormulaC55H35N3S2
Molecular Weight802.04 g/mol
Exact Mass801.23
IUPAC Name2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
SMILESC1=CC2c3cccc4c(-c5ccc6sc7c(c6c5)=C(c5cccc(-c6nc(-c8ccccc8)nc(-c8ccc9c(c8)sc8ccccc89)n6)c5)CCC=7)ccc(c34)C2C=C1
InChIInChI=1S/C55H35N3S2/c1-2-11-32(12-3-1)53-56-54(58-55(57-53)36-23-25-42-41-17-6-7-21-47(41)60-50(42)31-36)35-14-8-13-33(29-35)38-18-10-22-49-52(38)46-30-34(24-28-48(46)59-49)37-26-27-45-40-16-5-4-15-39(40)44-20-9-19-43(37)51(44)45/h1-9,11-17,19-31,39-40H,10,18H2
InChIKeyODDFOJOJEIXDMF-UHFFFAOYSA-N
XLogP13.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.04
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(4b,8a-dihydrotriphenylen-2-yl)-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166565407
2-[3-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377191
2-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509591
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
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-dibenzothiophen-2-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050112
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
2-(1,2-dihydrodibenzofuran-4-yl)-4-phenyl-6-[4-[8-(3-phenylphenyl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 134199053
2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199239

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine (CID 148742636) is 2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine is C1=CC2c3cccc4c(-c5ccc6sc7c(c6c5)=C(c5cccc(-c6nc(-c8ccccc8)nc(-c8ccc9c(c8)sc8ccccc89)n6)c5)CCC=7)ccc(c34)C2C=C1.
What is the InChIKey of 2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine?
The InChIKey is ODDFOJOJEIXDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3S2/c1-2-11-32(12-3-1)53-56-54(58-55(57-53)36-23-25-42-41-17-6-7-21-47(41)60-50(42)31-36)35-14-8-13-33(29-35)38-18-10-22-49-52(38)46-30-34(24-28-48(46)59-49)37-26-27-45-40-16-5-4-15-39(40)44-20-9-19-43(37)51(44)45/h1-9,11-17,19-31,39-40H,10,18H2.
What are the key properties of 2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine?
2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine has a molecular weight of 802.04 g/mol, XLogP of 13.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-(6b,10a-dihydrofluoranthen-3-yl)-2,3-dihydrodibenzothiophen-1-yl]phenyl]-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 148742636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).