4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline

C46H27NO2 — CID 156559765

IUPAC4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
SMILESc1ccc(-c2cc(-c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C46H27NO2/c1-2-13-28(14-3-1)32-26-40(47-39-21-9-5-16-30(32)39)31-17-12-24-43-45(31)34-25-33-29-15-4-6-18-35(29)46(38(33)27-44(34)49-43)36-19-7-10-22-41(36)48-42-23-11-8-20-37(42)46/h1-27H
InChIKeyFXSPWYMDYANLBW-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.94
Rot. Bonds2

About 4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline

4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline (PubChem CID 156559765) has the molecular formula C46H27NO2 and a molecular weight of 625.73 g/mol. Its IUPAC name is 4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline.

Molecular Properties

Compound Name4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
PubChem CID156559765
Molecular FormulaC46H27NO2
Molecular Weight625.73 g/mol
Exact Mass625.20
IUPAC Name4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
SMILESc1ccc(-c2cc(-c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C46H27NO2/c1-2-13-28(14-3-1)32-26-40(47-39-21-9-5-16-30(32)39)31-17-12-24-43-45(31)34-25-33-29-15-4-6-18-35(29)46(38(33)27-44(34)49-43)36-19-7-10-22-41(36)48-42-23-11-8-20-37(42)46/h1-27H
InChIKeyFXSPWYMDYANLBW-UHFFFAOYSA-N
XLogP11.94
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine
CID 156559736
2-phenyl-3-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
CID 156560159
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
2-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-4-phenylquinoline
CID 138573853
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-10-yl-1,3,5-triazine
CID 156559668
2,4-diphenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-9-ylpyrimidine
CID 167340456
2-dibenzofuran-1-yl-4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 166738010
4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine
CID 167348999
21-[4-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene];21-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 165027797
4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline
CID 126536750
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 167349084

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline?
The IUPAC name of 4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline (CID 156559765) is 4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline.
What is the SMILES notation for 4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline?
The canonical SMILES for 4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline is c1ccc(-c2cc(-c3cccc4oc5cc6c(cc5c34)-c3ccccc3C63c4ccccc4Oc4ccccc43)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline?
The InChIKey is FXSPWYMDYANLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2/c1-2-13-28(14-3-1)32-26-40(47-39-21-9-5-16-30(32)39)31-17-12-24-43-45(31)34-25-33-29-15-4-6-18-35(29)46(38(33)27-44(34)49-43)36-19-7-10-22-41(36)48-42-23-11-8-20-37(42)46/h1-27H.
What are the key properties of 4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline?
4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline has a molecular weight of 625.73 g/mol, XLogP of 11.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline is sourced from PubChem (CID 156559765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).