10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene

C68H40O — CID 122629683

IUPAC10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESc1ccc2c(c1)-c1cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1Oc1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc1-2
InChIInChI=1S/C68H40O/c1-2-16-46-45(15-1)55-37-41(43-29-33-53-51-21-7-13-27-61(51)67(63(53)39-43)57-23-9-3-17-47(57)48-18-4-10-24-58(48)67)31-35-65(55)69-66-36-32-42(38-56(46)66)44-30-34-54-52-22-8-14-28-62(52)68(64(54)40-44)59-25-11-5-19-49(59)50-20-6-12-26-60(50)68/h1-40H
InChIKeyTVJZODROFNPAEZ-UHFFFAOYSA-N
MW873.07 g/mol
LogP17.15
Rot. Bonds2

About 10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene

10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (PubChem CID 122629683) has the molecular formula C68H40O and a molecular weight of 873.07 g/mol. Its IUPAC name is 10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene.

Molecular Properties

Compound Name10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
PubChem CID122629683
Molecular FormulaC68H40O
Molecular Weight873.07 g/mol
Exact Mass872.31
IUPAC Name10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESc1ccc2c(c1)-c1cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1Oc1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc1-2
InChIInChI=1S/C68H40O/c1-2-16-46-45(15-1)55-37-41(43-29-33-53-51-21-7-13-27-61(51)67(63(53)39-43)57-23-9-3-17-47(57)48-18-4-10-24-58(48)67)31-35-65(55)69-66-36-32-42(38-56(46)66)44-30-34-54-52-22-8-14-28-62(52)68(64(54)40-44)59-25-11-5-19-49(59)50-20-6-12-26-60(50)68/h1-40H
InChIKeyTVJZODROFNPAEZ-UHFFFAOYSA-N
XLogP17.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.07
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene with MolForge

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Related Compounds

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4-dibenzofuran-2-yl-12-(9,9'-spirobi[fluorene]-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170034325
10-(9,9-dimethylfluoren-2-yl)-18-naphthalen-2-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 139373027
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Frequently Asked Questions

What is the IUPAC name of 10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The IUPAC name of 10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (CID 122629683) is 10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene.
What is the SMILES notation for 10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The canonical SMILES for 10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene is c1ccc2c(c1)-c1cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc1Oc1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc1-2.
What is the InChIKey of 10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The InChIKey is TVJZODROFNPAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40O/c1-2-16-46-45(15-1)55-37-41(43-29-33-53-51-21-7-13-27-61(51)67(63(53)39-43)57-23-9-3-17-47(57)48-18-4-10-24-58(48)67)31-35-65(55)69-66-36-32-42(38-56(46)66)44-30-34-54-52-22-8-14-28-62(52)68(64(54)40-44)59-25-11-5-19-49(59)50-20-6-12-26-60(50)68/h1-40H.
What are the key properties of 10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene has a molecular weight of 873.07 g/mol, XLogP of 17.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene is sourced from PubChem (CID 122629683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).