4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]

C86H56 — CID 177115837

IUPAC4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)c6)c5)c4)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C86H56/c1-4-23-57(24-5-1)67-53-68(55-69(54-67)72-41-22-46-82-84(72)77-40-13-17-45-81(77)86(82)79-43-15-11-37-73(79)74-38-12-16-44-80(74)86)65-32-21-30-63(52-65)61-28-19-26-59(50-61)58-25-18-27-60(49-58)62-29-20-31-64(51-62)66-47-48-76-75-39-10-14-42-78(75)85(83(76)56-66,70-33-6-2-7-34-70)71-35-8-3-9-36-71/h1-56H
InChIKeyGJHNTFZYJSUWBE-UHFFFAOYSA-N
MW1089.39 g/mol
LogP22.06
Rot. Bonds9

About 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]

4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene] (PubChem CID 177115837) has the molecular formula C86H56 and a molecular weight of 1089.39 g/mol. Its IUPAC name is 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
PubChem CID177115837
Molecular FormulaC86H56
Molecular Weight1089.39 g/mol
Exact Mass1088.44
IUPAC Name4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)c6)c5)c4)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C86H56/c1-4-23-57(24-5-1)67-53-68(55-69(54-67)72-41-22-46-82-84(72)77-40-13-17-45-81(77)86(82)79-43-15-11-37-73(79)74-38-12-16-44-80(74)86)65-32-21-30-63(52-65)61-28-19-26-59(50-61)58-25-18-27-60(49-58)62-29-20-31-64(51-62)66-47-48-76-75-39-10-14-42-78(75)85(83(76)56-66,70-33-6-2-7-34-70)71-35-8-3-9-36-71/h1-56H
InChIKeyGJHNTFZYJSUWBE-UHFFFAOYSA-N
XLogP22.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.39
LogP ≤ 522.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine
CID 177115865
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
4-[3-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785729
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylfluoren-9-yl]pyridine
CID 135173134
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258869
4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 140873469
2-[3,5-bis(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162075973
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072

Frequently Asked Questions

What is the IUPAC name of 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene] (CID 177115837) is 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene] is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)c6)c5)c4)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]?
The InChIKey is GJHNTFZYJSUWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H56/c1-4-23-57(24-5-1)67-53-68(55-69(54-67)72-41-22-46-82-84(72)77-40-13-17-45-81(77)86(82)79-43-15-11-37-73(79)74-38-12-16-44-80(74)86)65-32-21-30-63(52-65)61-28-19-26-59(50-61)58-25-18-27-60(49-58)62-29-20-31-64(51-62)66-47-48-76-75-39-10-14-42-78(75)85(83(76)56-66,70-33-6-2-7-34-70)71-35-8-3-9-36-71/h1-56H.
What are the key properties of 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]?
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene] has a molecular weight of 1089.39 g/mol, XLogP of 22.06, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 177115837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).