2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

C60H45N3O3 — CID 142427343

IUPAC2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=CC2=C(CC1)OC1=CC(C3=CCC4Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5C4=C3)CC=C1C2CCc1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C60H45N3O3/c1-3-13-39(14-4-1)58-61-59(40-15-5-2-6-16-40)63-60(62-58)49-21-12-24-54-56(49)50-35-41(31-34-53(50)64-54)42-30-33-47-44(45-17-7-9-22-51(45)65-55(47)36-42)32-27-37-25-28-38(29-26-37)43-19-11-20-48-46-18-8-10-23-52(46)66-57(43)48/h1-8,10-21,23-26,28-29,31,33,35-36,42,44,53H,9,22,27,30,32,34H2
InChIKeyCQCSRZKGKXJFHA-UHFFFAOYSA-N
MW856.04 g/mol
LogP14.63
Rot. Bonds8

About 2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 142427343) has the molecular formula C60H45N3O3 and a molecular weight of 856.04 g/mol. Its IUPAC name is 2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID142427343
Molecular FormulaC60H45N3O3
Molecular Weight856.04 g/mol
Exact Mass855.35
IUPAC Name2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=CC2=C(CC1)OC1=CC(C3=CCC4Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5C4=C3)CC=C1C2CCc1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C60H45N3O3/c1-3-13-39(14-4-1)58-61-59(40-15-5-2-6-16-40)63-60(62-58)49-21-12-24-54-56(49)50-35-41(31-34-53(50)64-54)42-30-33-47-44(45-17-7-9-22-51(45)65-55(47)36-42)32-27-37-25-28-38(29-26-37)43-19-11-20-48-46-18-8-10-23-52(46)66-57(43)48/h1-8,10-21,23-26,28-29,31,33,35-36,42,44,53H,9,22,27,30,32,34H2
InChIKeyCQCSRZKGKXJFHA-UHFFFAOYSA-N
XLogP14.63
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.04
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 145448035
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
CID 174101241
CID 174101241
2-(6H-benzo[c]chromen-1-yl)-4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169281785
2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166953249
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322

Frequently Asked Questions

What is the IUPAC name of 2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 142427343) is 2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is C1=CC2=C(CC1)OC1=CC(C3=CCC4Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5C4=C3)CC=C1C2CCc1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is CQCSRZKGKXJFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N3O3/c1-3-13-39(14-4-1)58-61-59(40-15-5-2-6-16-40)63-60(62-58)49-21-12-24-54-56(49)50-35-41(31-34-53(50)64-54)42-30-33-47-44(45-17-7-9-22-51(45)65-55(47)36-42)32-27-37-25-28-38(29-26-37)43-19-11-20-48-46-18-8-10-23-52(46)66-57(43)48/h1-8,10-21,23-26,28-29,31,33,35-36,42,44,53H,9,22,27,30,32,34H2.
What are the key properties of 2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 856.04 g/mol, XLogP of 14.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[9-[2-(4-dibenzofuran-4-ylphenyl)ethyl]-3,5,6,9-tetrahydro-2H-xanthen-3-yl]-5a,6-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 142427343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).