2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine

C52H29N3O3 — CID 156559736

IUPAC2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C52H29N3O3/c1-2-14-30(15-3-1)49-53-50(33-18-12-26-44-47(33)32-17-5-9-23-41(32)56-44)55-51(54-49)34-19-13-27-45-48(34)36-28-35-31-16-4-6-20-37(31)52(40(35)29-46(36)58-45)38-21-7-10-24-42(38)57-43-25-11-8-22-39(43)52/h1-29H
InChIKeyUHLZPRPNUFALNG-UHFFFAOYSA-N
MW743.82 g/mol
LogP13.14
Rot. Bonds3

About 2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine

2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine (PubChem CID 156559736) has the molecular formula C52H29N3O3 and a molecular weight of 743.82 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine
PubChem CID156559736
Molecular FormulaC52H29N3O3
Molecular Weight743.82 g/mol
Exact Mass743.22
IUPAC Name2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C52H29N3O3/c1-2-14-30(15-3-1)49-53-50(33-18-12-26-44-47(33)32-17-5-9-23-41(32)56-44)55-51(54-49)34-19-13-27-45-48(34)36-28-35-31-16-4-6-20-37(31)52(40(35)29-46(36)58-45)38-21-7-10-24-42(38)57-43-25-11-8-22-39(43)52/h1-29H
InChIKeyUHLZPRPNUFALNG-UHFFFAOYSA-N
XLogP13.14
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.82
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine
CID 156560244
4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylpyrimidine
CID 167340522
2-dibenzofuran-1-yl-4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 166738010
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine
CID 156559668
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002722
4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
CID 156559765
2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734578
2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146649061
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine;2-(9H-fluoren-3-yl)-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-yl-1,3,5-triazine
CID 162200037
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-9-ylpyrimidine
CID 167340456
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 130327359
2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
CID 156560159

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine (CID 156559736) is 2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine?
The InChIKey is UHLZPRPNUFALNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3O3/c1-2-14-30(15-3-1)49-53-50(33-18-12-26-44-47(33)32-17-5-9-23-41(32)56-44)55-51(54-49)34-19-13-27-45-48(34)36-28-35-31-16-4-6-20-37(31)52(40(35)29-46(36)58-45)38-21-7-10-24-42(38)57-43-25-11-8-22-39(43)52/h1-29H.
What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine has a molecular weight of 743.82 g/mol, XLogP of 13.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine is sourced from PubChem (CID 156559736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).