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

C47H35N3O — CID 167353697

IUPAC2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5c-4ccc4ccccc54)C4CC5CC(C4)CC3C5)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H35N3O/c1-2-10-30(11-3-1)44-48-45(50-46(49-44)38-14-8-16-41-42(38)37-13-6-7-15-40(37)51-41)31-18-19-35-36-20-17-29-9-4-5-12-34(29)43(36)47(39(35)26-31)32-22-27-21-28(24-32)25-33(47)23-27/h1-20,26-28,32-33H,21-25H2
InChIKeyLGUACVKCKCFRSS-UHFFFAOYSA-N
MW657.82 g/mol
LogP11.65
Rot. Bonds3

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

2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine (PubChem CID 167353697) 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-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
PubChem CID167353697
Molecular FormulaC47H35N3O
Molecular Weight657.82 g/mol
Exact Mass657.28
IUPAC Name2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5c-4ccc4ccccc54)C4CC5CC(C4)CC3C5)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H35N3O/c1-2-10-30(11-3-1)44-48-45(50-46(49-44)38-14-8-16-41-42(38)37-13-6-7-15-40(37)51-41)31-18-19-35-36-20-17-29-9-4-5-12-34(29)43(36)47(39(35)26-31)32-22-27-21-28(24-32)25-33(47)23-27/h1-20,26-28,32-33H,21-25H2
InChIKeyLGUACVKCKCFRSS-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-(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-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353713
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
CID 167353781
2-(4-dibenzofuran-2-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353756
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-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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353637
2-(7'-dibenzofuran-3-ylspiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-diphenyl-1,3,5-triazine
CID 168803617
2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803633
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
CID 167353705
2-(6'-dibenzofuran-1-yl-7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 170047048
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[a]fluorene]-3'-yl-1,3,5-triazine
CID 167353607

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine (CID 167353697) is 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)C3(c5c-4ccc4ccccc54)C4CC5CC(C4)CC3C5)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine?
The InChIKey is LGUACVKCKCFRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3O/c1-2-10-30(11-3-1)44-48-45(50-46(49-44)38-14-8-16-41-42(38)37-13-6-7-15-40(37)51-41)31-18-19-35-36-20-17-29-9-4-5-12-34(29)43(36)47(39(35)26-31)32-22-27-21-28(24-32)25-33(47)23-27/h1-20,26-28,32-33H,21-25H2.
What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]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-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine is sourced from PubChem (CID 167353697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).