2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]

C75H44 — CID 141243906

IUPAC2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc2-c2ccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C75H44/c1-9-31-61-49(19-1)50-20-2-10-32-62(50)73(61)69-43-45(47-27-17-29-59-55-25-7-15-37-67(55)74(71(47)59)63-33-11-3-21-51(63)52-22-4-12-34-64(52)74)39-41-57(69)58-42-40-46(44-70(58)73)48-28-18-30-60-56-26-8-16-38-68(56)75(72(48)60)65-35-13-5-23-53(65)54-24-6-14-36-66(54)75/h1-44H
InChIKeyMWWGZAPRQZNXGI-UHFFFAOYSA-N
MW945.18 g/mol
LogP18.05
Rot. Bonds2

About 2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]

2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene] (PubChem CID 141243906) 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]-1'-yl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
PubChem CID141243906
Molecular FormulaC75H44
Molecular Weight945.18 g/mol
Exact Mass944.34
IUPAC Name2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc2-c2ccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C75H44/c1-9-31-61-49(19-1)50-20-2-10-32-62(50)73(61)69-43-45(47-27-17-29-59-55-25-7-15-37-67(55)74(71(47)59)63-33-11-3-21-51(63)52-22-4-12-34-64(52)74)39-41-57(69)58-42-40-46(44-70(58)73)48-28-18-30-60-56-26-8-16-38-68(56)75(72(48)60)65-35-13-5-23-53(65)54-24-6-14-36-66(54)75/h1-44H
InChIKeyMWWGZAPRQZNXGI-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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Related Compounds

2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380122
2,3-bis(9,9'-spirobi[fluorene]-2-yl)aniline
CID 90756938
2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]
CID 142725067
1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156896822
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-(3-iodophenyl)-9,9'-spirobi[fluorene]
CID 59668504
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1'-phenyl-9,9'-spirobi[fluorene]
CID 160786762
1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]
CID 156896575
2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 173227728
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027

Frequently Asked Questions

What is the IUPAC name of 2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene] (CID 141243906) is 2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene] is c1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc2-c2ccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of 2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]?
The InChIKey is MWWGZAPRQZNXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H44/c1-9-31-61-49(19-1)50-20-2-10-32-62(50)73(61)69-43-45(47-27-17-29-59-55-25-7-15-37-67(55)74(71(47)59)63-33-11-3-21-51(63)52-22-4-12-34-64(52)74)39-41-57(69)58-42-40-46(44-70(58)73)48-28-18-30-60-56-26-8-16-38-68(56)75(72(48)60)65-35-13-5-23-53(65)54-24-6-14-36-66(54)75/h1-44H.
What are the key properties of 2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]?
2',7'-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 2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 141243906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).