8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline

C46H27NO — CID 148574342

IUPAC8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)oc1cc(-c2ccc(-c4cccc5cccnc45)cc2)ccc13
InChIInChI=1S/C46H27NO/c1-4-15-39-33(11-1)34-12-2-5-16-40(34)46(39)41-17-6-3-13-35(41)37-26-38-36-23-22-31(25-43(36)48-44(38)27-42(37)46)28-18-20-29(21-19-28)32-14-7-9-30-10-8-24-47-45(30)32/h1-27H
InChIKeyMXMLLSBNQLWRPR-UHFFFAOYSA-N
MW609.73 g/mol
LogP11.81
Rot. Bonds2

About 8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline

8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline (PubChem CID 148574342) has the molecular formula C46H27NO and a molecular weight of 609.73 g/mol. Its IUPAC name is 8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline.

Molecular Properties

Compound Name8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline
PubChem CID148574342
Molecular FormulaC46H27NO
Molecular Weight609.73 g/mol
Exact Mass609.21
IUPAC Name8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)oc1cc(-c2ccc(-c4cccc5cccnc45)cc2)ccc13
InChIInChI=1S/C46H27NO/c1-4-15-39-33(11-1)34-12-2-5-16-40(34)46(39)41-17-6-3-13-35(41)37-26-38-36-23-22-31(25-43(36)48-44(38)27-42(37)46)28-18-20-29(21-19-28)32-14-7-9-30-10-8-24-47-45(30)32/h1-27H
InChIKeyMXMLLSBNQLWRPR-UHFFFAOYSA-N
XLogP11.81
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)quinoline
CID 153483758
8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline
CID 167177391
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483785
CID 129023365
CID 129023365
8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline
CID 146547263
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4-phenyl-6-pyrimidin-2-yl-1,3,5-triazine
CID 158622939
CID 140918548
CID 140918548
CID 129023472
CID 129023472
8-[4-[3-[(13S)-1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl]phenyl]phenyl]quinoline
CID 145303095

Frequently Asked Questions

What is the IUPAC name of 8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline?
The IUPAC name of 8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline (CID 148574342) is 8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline.
What is the SMILES notation for 8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline?
The canonical SMILES for 8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)oc1cc(-c2ccc(-c4cccc5cccnc45)cc2)ccc13.
What is the InChIKey of 8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline?
The InChIKey is MXMLLSBNQLWRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO/c1-4-15-39-33(11-1)34-12-2-5-16-40(34)46(39)41-17-6-3-13-35(41)37-26-38-36-23-22-31(25-43(36)48-44(38)27-42(37)46)28-18-20-29(21-19-28)32-14-7-9-30-10-8-24-47-45(30)32/h1-27H.
What are the key properties of 8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline?
8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline has a molecular weight of 609.73 g/mol, XLogP of 11.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline is sourced from PubChem (CID 148574342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).