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

C43H33N3O — CID 156561204

IUPAC2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C43H33N3O/c1-2-10-27(11-3-1)40-44-41(46-42(45-40)35-17-9-15-33-31-13-5-7-19-37(31)47-39(33)35)34-16-8-14-32-30-12-4-6-18-36(30)43(38(32)34)28-21-25-20-26(23-28)24-29(43)22-25/h1-19,25-26,28-29H,20-24H2
InChIKeyNKTQKXNRIIPDFH-UHFFFAOYSA-N
MW607.76 g/mol
LogP10.49
Rot. Bonds3

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

2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine (PubChem CID 156561204) has the molecular formula C43H33N3O and a molecular weight of 607.76 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine
PubChem CID156561204
Molecular FormulaC43H33N3O
Molecular Weight607.76 g/mol
Exact Mass607.26
IUPAC Name2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C43H33N3O/c1-2-10-27(11-3-1)40-44-41(46-42(45-40)35-17-9-15-33-31-13-5-7-19-37(31)47-39(33)35)34-16-8-14-32-30-12-4-6-18-36(30)43(38(32)34)28-21-25-20-26(23-28)24-29(43)22-25/h1-19,25-26,28-29H,20-24H2
InChIKeyNKTQKXNRIIPDFH-UHFFFAOYSA-N
XLogP10.49
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.76
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]
CID 168834609
8'-[4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]spiro[adamantane-2,9'-indeno[2,1-b]pyridine]
CID 167270009
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine
CID 166017896
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-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353697
2-[3-(4'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]-4,6-diphenylpyrimidine
CID 168803641
8'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-indeno[2,1-c]pyridine]
CID 167268553
2-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-phenylphenyl)phenyl]-6-spiro[adamantane-2,12'-indeno[2,1-a]oxanthrene]-9'-yl-1,3,5-triazine
CID 168834420
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
4-dibenzofuran-4-yl-6-phenyl-2-spiro[adamantane-2,7'-fluoreno[4,3-b][1]benzofuran]-2'-ylpyrimidine
CID 168834527
2-dibenzofuran-4-yl-4-phenyl-6-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,3,5-triazine
CID 155460729
2-(4-dibenzofuran-2-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353756

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine (CID 156561204) is 2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4c3C3(c5ccccc5-4)C4CC5CC(C4)CC3C5)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine?
The InChIKey is NKTQKXNRIIPDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N3O/c1-2-10-27(11-3-1)40-44-41(46-42(45-40)35-17-9-15-33-31-13-5-7-19-37(31)47-39(33)35)34-16-8-14-32-30-12-4-6-18-36(30)43(38(32)34)28-21-25-20-26(23-28)24-29(43)22-25/h1-19,25-26,28-29H,20-24H2.
What are the key properties of 2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine has a molecular weight of 607.76 g/mol, XLogP of 10.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine is sourced from PubChem (CID 156561204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).