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

C80H52 — CID 177266011

IUPAC4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)c8)c7)c6)c5)c4)cc32)cc1
InChIInChI=1S/C80H52/c1-3-31-64(32-4-1)79(65-33-5-2-6-34-65)72-40-11-7-37-69(72)70-46-45-62(52-77(70)79)60-28-18-26-58(50-60)56-24-16-22-54(48-56)53-21-15-23-55(47-53)57-25-17-27-59(49-57)61-29-19-30-63(51-61)66-39-20-44-76-78(66)71-38-10-14-43-75(71)80(76)73-41-12-8-35-67(73)68-36-9-13-42-74(68)80/h1-52H
InChIKeyLEKGYIVHUILVCZ-UHFFFAOYSA-N
MW1013.30 g/mol
LogP20.40
Rot. Bonds8

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

4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] (PubChem CID 177266011) has the molecular formula C80H52 and a molecular weight of 1013.30 g/mol. Its IUPAC name is 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
PubChem CID177266011
Molecular FormulaC80H52
Molecular Weight1013.30 g/mol
Exact Mass1012.41
IUPAC Name4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)c8)c7)c6)c5)c4)cc32)cc1
InChIInChI=1S/C80H52/c1-3-31-64(32-4-1)79(65-33-5-2-6-34-65)72-40-11-7-37-69(72)70-46-45-62(52-77(70)79)60-28-18-26-58(50-60)56-24-16-22-54(48-56)53-21-15-23-55(47-53)57-25-17-27-59(49-57)61-29-19-30-63(51-61)66-39-20-44-76-78(66)71-38-10-14-43-75(71)80(76)73-41-12-8-35-67(73)68-36-9-13-42-74(68)80/h1-52H
InChIKeyLEKGYIVHUILVCZ-UHFFFAOYSA-N
XLogP20.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.30
LogP ≤ 520.40
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]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylfluoren-9-yl]pyridine
CID 135173134
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
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-(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-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170017230
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147

Frequently Asked Questions

What is the IUPAC name of 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] (CID 177266011) is 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-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]phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9cccc%10c9-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)c8)c7)c6)c5)c4)cc32)cc1.
What is the InChIKey of 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is LEKGYIVHUILVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52/c1-3-31-64(32-4-1)79(65-33-5-2-6-34-65)72-40-11-7-37-69(72)70-46-45-62(52-77(70)79)60-28-18-26-58(50-60)56-24-16-22-54(48-56)53-21-15-23-55(47-53)57-25-17-27-59(49-57)61-29-19-30-63(51-61)66-39-20-44-76-78(66)71-38-10-14-43-75(71)80(76)73-41-12-8-35-67(73)68-36-9-13-42-74(68)80/h1-52H.
What are the key properties of 4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 1013.30 g/mol, XLogP of 20.40, 8 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]phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 177266011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).