1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene]

C75H44 — CID 91075968

IUPAC1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(-c3ccc4c(c3-c3cccc5c3C3(c6ccccc6-c6ccccc63)c3ccccc3-5)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21
InChIInChI=1S/C75H44/c1-10-34-60-45(21-1)46-22-2-11-35-61(46)73(60)66-40-16-7-27-51(66)55-30-19-32-57(70(55)73)54-43-44-58-53-29-9-18-42-68(53)75(64-38-14-5-25-49(64)50-26-6-15-39-65(50)75)72(58)69(54)59-33-20-31-56-52-28-8-17-41-67(52)74(71(56)59)62-36-12-3-23-47(62)48-24-4-13-37-63(48)74/h1-44H
InChIKeyOFTPJPMNINOJSN-UHFFFAOYSA-N
MW945.18 g/mol
LogP18.05
Rot. Bonds2

About 1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene]

1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene] (PubChem CID 91075968) has the molecular formula C75H44 and a molecular weight of 945.18 g/mol. Its IUPAC name is 1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene]
PubChem CID91075968
Molecular FormulaC75H44
Molecular Weight945.18 g/mol
Exact Mass944.34
IUPAC Name1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(-c3ccc4c(c3-c3cccc5c3C3(c6ccccc6-c6ccccc63)c3ccccc3-5)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21
InChIInChI=1S/C75H44/c1-10-34-60-45(21-1)46-22-2-11-35-61(46)73(60)66-40-16-7-27-51(66)55-30-19-32-57(70(55)73)54-43-44-58-53-29-9-18-42-68(53)75(64-38-14-5-25-49(64)50-26-6-15-39-65(50)75)72(58)69(54)59-33-20-31-56-52-28-8-17-41-67(52)74(71(56)59)62-36-12-3-23-47(62)48-24-4-13-37-63(48)74/h1-44H
InChIKeyOFTPJPMNINOJSN-UHFFFAOYSA-N
XLogP18.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.18
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene]?
The IUPAC name of 1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene] (CID 91075968) is 1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(-c3ccc4c(c3-c3cccc5c3C3(c6ccccc6-c6ccccc63)c3ccccc3-5)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21.
What is the InChIKey of 1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene]?
The InChIKey is OFTPJPMNINOJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H44/c1-10-34-60-45(21-1)46-22-2-11-35-61(46)73(60)66-40-16-7-27-51(66)55-30-19-32-57(70(55)73)54-43-44-58-53-29-9-18-42-68(53)75(64-38-14-5-25-49(64)50-26-6-15-39-65(50)75)72(58)69(54)59-33-20-31-56-52-28-8-17-41-67(52)74(71(56)59)62-36-12-3-23-47(62)48-24-4-13-37-63(48)74/h1-44H.
What are the key properties of 1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene]?
1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene] has a molecular weight of 945.18 g/mol, XLogP of 18.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(9,9'-spirobi[fluorene]-1-yl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 91075968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).