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

C63H51N3O — CID 170047048

IUPAC2-(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
SMILESCCC1CC2CC(C)C3(c4ccc(-c5cccc6oc7ccccc7c56)cc4-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc43)C(C1)C2
InChIInChI=1S/C63H51N3O/c1-3-40-34-41-33-39(2)63(50(35-40)36-41)55-32-30-48(51-18-12-20-58-59(51)53-17-10-11-19-57(53)67-58)37-54(55)52-31-29-49(38-56(52)63)62-65-60(46-25-21-44(22-26-46)42-13-6-4-7-14-42)64-61(66-62)47-27-23-45(24-28-47)43-15-8-5-9-16-43/h4-32,37-41,50H,3,33-36H2,1-2H3
InChIKeyJUZMTWNRICBPED-UHFFFAOYSA-N
MW866.12 g/mol
LogP16.52
Rot. Bonds7

About 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

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 (PubChem CID 170047048) has the molecular formula C63H51N3O and a molecular weight of 866.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID170047048
Molecular FormulaC63H51N3O
Molecular Weight866.12 g/mol
Exact Mass865.40
IUPAC Name2-(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
SMILESCCC1CC2CC(C)C3(c4ccc(-c5cccc6oc7ccccc7c56)cc4-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc43)C(C1)C2
InChIInChI=1S/C63H51N3O/c1-3-40-34-41-33-39(2)63(50(35-40)36-41)55-32-30-48(51-18-12-20-58-59(51)53-17-10-11-19-57(53)67-58)37-54(55)52-31-29-49(38-56(52)63)62-65-60(46-25-21-44(22-26-46)42-13-6-4-7-14-42)64-61(66-62)47-27-23-45(24-28-47)43-15-8-5-9-16-43/h4-32,37-41,50H,3,33-36H2,1-2H3
InChIKeyJUZMTWNRICBPED-UHFFFAOYSA-N
XLogP16.52
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.12
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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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-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353697
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
CID 167353781
2-[3-dibenzofuran-2-yl-5-(6'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164811674
N-[4-[2-(3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 166894198
2-(9,9-dimethylfluoren-3-yl)-4-[2-(7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,8'-indeno[1,2-a]oxanthrene]-3'-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170005209
2-[2-(3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 167162779
2-[4-(7'-dibenzofuran-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803633
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-naphthalen-1-yl-4-(4-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine
CID 167353503
6'-chloro-2'-(9,9-dimethylfluoren-3-yl)-7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 170046374
2-(7'-dibenzofuran-3-ylspiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-diphenyl-1,3,5-triazine
CID 168803617

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CC2CC(C)C3(c4ccc(-c5cccc6oc7ccccc7c56)cc4-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc43)C(C1)C2.
What is the InChIKey of 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?
The InChIKey is JUZMTWNRICBPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N3O/c1-3-40-34-41-33-39(2)63(50(35-40)36-41)55-32-30-48(51-18-12-20-58-59(51)53-17-10-11-19-57(53)67-58)37-54(55)52-31-29-49(38-56(52)63)62-65-60(46-25-21-44(22-26-46)42-13-6-4-7-14-42)64-61(66-62)47-27-23-45(24-28-47)43-15-8-5-9-16-43/h4-32,37-41,50H,3,33-36H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 866.12 g/mol, XLogP of 16.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170047048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).