2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine

C47H35N3O — CID 167353781

IUPAC2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccc6ccccc6c5-4)C4CC5CC(C4)CC3C5)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H35N3O/c1-2-10-30(11-3-1)44-48-45(50-46(49-44)37-14-8-16-41-43(37)36-13-6-7-15-40(36)51-41)31-17-19-35-39(26-31)47(32-22-27-21-28(24-32)25-33(47)23-27)38-20-18-29-9-4-5-12-34(29)42(35)38/h1-20,26-28,32-33H,21-25H2
InChIKeyFHFILHHALXBILT-UHFFFAOYSA-N
MW657.82 g/mol
LogP11.65
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine

2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine (PubChem CID 167353781) has the molecular formula C47H35N3O and a molecular weight of 657.82 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
PubChem CID167353781
Molecular FormulaC47H35N3O
Molecular Weight657.82 g/mol
Exact Mass657.28
IUPAC Name2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccc6ccccc6c5-4)C4CC5CC(C4)CC3C5)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H35N3O/c1-2-10-30(11-3-1)44-48-45(50-46(49-44)37-14-8-16-41-43(37)36-13-6-7-15-40(36)51-41)31-17-19-35-39(26-31)47(32-22-27-21-28(24-32)25-33(47)23-27)38-20-18-29-9-4-5-12-34(29)42(35)38/h1-20,26-28,32-33H,21-25H2
InChIKeyFHFILHHALXBILT-UHFFFAOYSA-N
XLogP11.65
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(2-methylphenyl)-4-phenyl-6-(7-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 167353759
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
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-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran
CID 168808964
3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran
CID 168808914
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
CID 167353943
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-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine
CID 167353660
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
CID 167353704

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine (CID 167353781) is 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccc6ccccc6c5-4)C4CC5CC(C4)CC3C5)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine?
The InChIKey is FHFILHHALXBILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3O/c1-2-10-30(11-3-1)44-48-45(50-46(49-44)37-14-8-16-41-43(37)36-13-6-7-15-40(36)51-41)31-17-19-35-39(26-31)47(32-22-27-21-28(24-32)25-33(47)23-27)38-20-18-29-9-4-5-12-34(29)42(35)38/h1-20,26-28,32-33H,21-25H2.
What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine has a molecular weight of 657.82 g/mol, XLogP of 11.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine is sourced from PubChem (CID 167353781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).