4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]

C77H52 — CID 140873469

IUPAC4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(C5(c6cccc(-c7cccc(-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)c7)c6)c6ccccc6-c6ccccc65)c4)c3)cc21
InChIInChI=1S/C77H52/c1-75(2)66-35-9-3-28-59(66)64-43-42-54(48-73(64)75)50-21-15-20-49(44-50)52-23-17-26-56(46-52)76(67-36-10-4-29-60(67)61-30-5-11-37-68(61)76)57-27-18-24-53(47-57)51-22-16-25-55(45-51)58-34-19-41-72-74(58)65-33-8-14-40-71(65)77(72)69-38-12-6-31-62(69)63-32-7-13-39-70(63)77/h3-48H,1-2H3
InChIKeyVLQJSMXSULWECL-UHFFFAOYSA-N
MW977.26 g/mol
LogP19.37
Rot. Bonds6

About 4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]

4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene] (PubChem CID 140873469) has the molecular formula C77H52 and a molecular weight of 977.26 g/mol. Its IUPAC name is 4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
PubChem CID140873469
Molecular FormulaC77H52
Molecular Weight977.26 g/mol
Exact Mass976.41
IUPAC Name4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(C5(c6cccc(-c7cccc(-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)c7)c6)c6ccccc6-c6ccccc65)c4)c3)cc21
InChIInChI=1S/C77H52/c1-75(2)66-35-9-3-28-59(66)64-43-42-54(48-73(64)75)50-21-15-20-49(44-50)52-23-17-26-56(46-52)76(67-36-10-4-29-60(67)61-30-5-11-37-68(61)76)57-27-18-24-53(47-57)51-22-16-25-55(45-51)58-34-19-41-72-74(58)65-33-8-14-40-71(65)77(72)69-38-12-6-31-62(69)63-32-7-13-39-70(63)77/h3-48H,1-2H3
InChIKeyVLQJSMXSULWECL-UHFFFAOYSA-N
XLogP19.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.26
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
2-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4-[2-[3-[3-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]phenyl]phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 167178352
4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene
CID 140873499
CID 140720702
CID 140720702
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene
CID 164755272
7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-ol
CID 118146061
bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)
CID 158861729

Frequently Asked Questions

What is the IUPAC name of 4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene] (CID 140873469) is 4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene] is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(C5(c6cccc(-c7cccc(-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)c7)c6)c6ccccc6-c6ccccc65)c4)c3)cc21.
What is the InChIKey of 4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is VLQJSMXSULWECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H52/c1-75(2)66-35-9-3-28-59(66)64-43-42-54(48-73(64)75)50-21-15-20-49(44-50)52-23-17-26-56(46-52)76(67-36-10-4-29-60(67)61-30-5-11-37-68(61)76)57-27-18-24-53(47-57)51-22-16-25-55(45-51)58-34-19-41-72-74(58)65-33-8-14-40-71(65)77(72)69-38-12-6-31-62(69)63-32-7-13-39-70(63)77/h3-48H,1-2H3.
What are the key properties of 4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 977.26 g/mol, XLogP of 19.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 140873469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).