2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]

C75H44 — CID 53384287

IUPAC2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C75H44/c1-9-25-61-49(17-1)50-18-2-10-26-62(50)73(61)65-29-13-7-23-55(65)57-37-33-45(41-69(57)73)47-35-39-59-60-40-36-48(44-72(60)75(71(59)43-47)67-31-15-5-21-53(67)54-22-6-16-32-68(54)75)46-34-38-58-56-24-8-14-30-66(56)74(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)74/h1-44H
InChIKeyBFDFHGPJXDFXBA-UHFFFAOYSA-N
MW945.18 g/mol
LogP18.05
Rot. Bonds2

About 2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]

2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene] (PubChem CID 53384287) has the molecular formula C75H44 and a molecular weight of 945.18 g/mol. Its IUPAC name is 2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]
PubChem CID53384287
Molecular FormulaC75H44
Molecular Weight945.18 g/mol
Exact Mass944.34
IUPAC Name2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C75H44/c1-9-25-61-49(17-1)50-18-2-10-26-62(50)73(61)65-29-13-7-23-55(65)57-37-33-45(41-69(57)73)47-35-39-59-60-40-36-48(44-72(60)75(71(59)43-47)67-31-15-5-21-53(67)54-22-6-16-32-68(54)75)46-34-38-58-56-24-8-14-30-66(56)74(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)74/h1-44H
InChIKeyBFDFHGPJXDFXBA-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 2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene] (CID 53384287) is 2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]?
The InChIKey is BFDFHGPJXDFXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H44/c1-9-25-61-49(17-1)50-18-2-10-26-62(50)73(61)65-29-13-7-23-55(65)57-37-33-45(41-69(57)73)47-35-39-59-60-40-36-48(44-72(60)75(71(59)43-47)67-31-15-5-21-53(67)54-22-6-16-32-68(54)75)46-34-38-58-56-24-8-14-30-66(56)74(70(58)42-46)63-27-11-3-19-51(63)52-20-4-12-28-64(52)74/h1-44H.
What are the key properties of 2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]?
2',7'-bis(9,9'-spirobi[fluorene]-2-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 2',7'-bis(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 53384287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).