4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline

C46H27NO — CID 126536750

IUPAC4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3cc(-c4cccc5oc6ccccc6c45)c4ccccc4n3)cccc21
InChIInChI=1S/C46H27NO/c1-6-20-36-28(13-1)29-14-2-7-21-37(29)46(36)38-22-8-3-16-32(38)44-33(19-11-23-39(44)46)41-27-35(30-15-4-9-24-40(30)47-41)31-18-12-26-43-45(31)34-17-5-10-25-42(34)48-43/h1-27H
InChIKeyWOCMQESQXVOBDE-UHFFFAOYSA-N
MW609.73 g/mol
LogP11.81
Rot. Bonds2

About 4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline

4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline (PubChem CID 126536750) has the molecular formula C46H27NO and a molecular weight of 609.73 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline
PubChem CID126536750
Molecular FormulaC46H27NO
Molecular Weight609.73 g/mol
Exact Mass609.21
IUPAC Name4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3cc(-c4cccc5oc6ccccc6c45)c4ccccc4n3)cccc21
InChIInChI=1S/C46H27NO/c1-6-20-36-28(13-1)29-14-2-7-21-37(29)46(36)38-22-8-3-16-32(38)44-33(19-11-23-39(44)46)41-27-35(30-15-4-9-24-40(30)47-41)31-18-12-26-43-45(31)34-17-5-10-25-42(34)48-43/h1-27H
InChIKeyWOCMQESQXVOBDE-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

4-(3-dibenzofuran-1-yl-5-phenylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171584248
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline
CID 167177433
4-dibenzofuran-1-yl-2-phenylquinoline
CID 146337940
4,6-diphenyl-2-[1-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-2-yl]pyrimidine
CID 142491195
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648601
2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146649021
2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 153284122
4-dibenzofuran-1-yl-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine
CID 147940366
4-dibenzofuran-1-yl-2-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 153287866
4-phenyl-2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylquinoline
CID 156559765
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176583162
1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397549

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline?
The IUPAC name of 4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline (CID 126536750) is 4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline.
What is the SMILES notation for 4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline?
The canonical SMILES for 4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3cc(-c4cccc5oc6ccccc6c45)c4ccccc4n3)cccc21.
What is the InChIKey of 4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline?
The InChIKey is WOCMQESQXVOBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO/c1-6-20-36-28(13-1)29-14-2-7-21-37(29)46(36)38-22-8-3-16-32(38)44-33(19-11-23-39(44)46)41-27-35(30-15-4-9-24-40(30)47-41)31-18-12-26-43-45(31)34-17-5-10-25-42(34)48-43/h1-27H.
What are the key properties of 4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline?
4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)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 4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline is sourced from PubChem (CID 126536750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).