2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine

C59H41N3O2 — CID 168803849

IUPAC2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)c4c(c3)C3(c5c-4ccc4ccccc54)C4CC5CC(C4)CC3C5)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C59H41N3O2/c1-2-12-36(13-3-1)56-60-57(62-58(61-56)46-17-10-20-51-54(46)44-16-7-9-19-50(44)63-51)38-30-47(37-22-23-43-42-15-6-8-18-49(42)64-52(43)32-37)53-45-24-21-35-11-4-5-14-41(35)55(45)59(48(53)31-38)39-26-33-25-34(28-39)29-40(59)27-33/h1-24,30-34,39-40H,25-29H2
InChIKeyOTBTZHQHISUREP-UHFFFAOYSA-N
MW824.00 g/mol
LogP15.21
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine (PubChem CID 168803849) has the molecular formula C59H41N3O2 and a molecular weight of 824.00 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine
PubChem CID168803849
Molecular FormulaC59H41N3O2
Molecular Weight824.00 g/mol
Exact Mass823.32
IUPAC Name2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)c4c(c3)C3(c5c-4ccc4ccccc54)C4CC5CC(C4)CC3C5)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C59H41N3O2/c1-2-12-36(13-3-1)56-60-57(62-58(61-56)46-17-10-20-51-54(46)44-16-7-9-19-50(44)63-51)38-30-47(37-22-23-43-42-15-6-8-18-49(42)64-52(43)32-37)53-45-24-21-35-11-4-5-14-41(35)55(45)59(48(53)31-38)39-26-33-25-34(28-39)29-40(59)27-33/h1-24,30-34,39-40H,25-29H2
InChIKeyOTBTZHQHISUREP-UHFFFAOYSA-N
XLogP15.21
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.00
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353697
2-(3-dibenzofuran-1-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353552
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
CID 167353781
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353713
2-(4-dibenzofuran-2-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353756
2-(7'-dibenzofuran-3-ylspiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-diphenyl-1,3,5-triazine
CID 168803617
2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 167353905
2-(2-methylphenyl)-4-phenyl-6-(7-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 167353759
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
CID 167353705
3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran
CID 167009001
2-dibenzofuran-1-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130847

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine (CID 168803849) is 2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)c4c(c3)C3(c5c-4ccc4ccccc54)C4CC5CC(C4)CC3C5)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is OTBTZHQHISUREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3O2/c1-2-12-36(13-3-1)56-60-57(62-58(61-56)46-17-10-20-51-54(46)44-16-7-9-19-50(44)63-51)38-30-47(37-22-23-43-42-15-6-8-18-49(42)64-52(43)32-37)53-45-24-21-35-11-4-5-14-41(35)55(45)59(48(53)31-38)39-26-33-25-34(28-39)29-40(59)27-33/h1-24,30-34,39-40H,25-29H2.
What are the key properties of 2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 824.00 g/mol, XLogP of 15.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(7'-dibenzofuran-3-ylspiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 168803849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).