2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

C65H41N3O2 — CID 156734639

About 2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 156734639) has the molecular formula C65H41N3O2 and a molecular weight of 896.06 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 156734639
• Molecular Formula: C65H41N3O2
• Molecular Weight: 896.06 g/mol
• Exact Mass: 895.32
• IUPAC Name: 2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
• SMILES: C=CC1=C(/C=C\C)C2(c3ccccc3-c3ccccc32)c2c1cccc2-c1cccc(-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c4c3c2)c1
• InChI: InChI=1S/C65H41N3O2/c1-3-17-53-44(4-2)49-26-15-25-45(61(49)65(53)54-28-11-8-22-46(54)47-23-9-12-29-55(47)65)42-21-14-20-40(36-42)41-32-34-58-52(37-41)60-50(27-16-31-59(60)70-58)64-67-62(39-18-6-5-7-19-39)66-63(68-64)43-33-35-57-51(38-43)48-24-10-13-30-56(48)69-57/h3-38H,2H2,1H3/b17-3-
• InChIKey: GYOXFZAVZAKDKU-YPEHOIGNSA-N
• XLogP: 16.85
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.06
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (CID 156734639) is 2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is C=CC1=C(/C=C\C)C2(c3ccccc3-c3ccccc32)c2c1cccc2-c1cccc(-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c4c3c2)c1.

What is the InChIKey of 2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?

The InChIKey is GYOXFZAVZAKDKU-YPEHOIGNSA-N. The full InChI is InChI=1S/C65H41N3O2/c1-3-17-53-44(4-2)49-26-15-25-45(61(49)65(53)54-28-11-8-22-46(54)47-23-9-12-29-55(47)65)42-21-14-20-40(36-42)41-32-34-58-52(37-41)60-50(27-16-31-59(60)70-58)64-67-62(39-18-6-5-7-19-39)66-63(68-64)43-33-35-57-51(38-43)48-24-10-13-30-56(48)69-57/h3-38H,2H2,1H3/b17-3-.

What are the key properties of 2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?

2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 896.06 g/mol, XLogP of 16.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-4-[8-[3-[1'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,3'-indene]-4'-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 156734639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).