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

C76H52 — CID 177115855

IUPAC4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc(-c7cccc(-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)c7)c6)c5)c4)c3)cccc21
InChIInChI=1S/C76H52/c1-75(2)67-36-10-8-32-65(67)73-61(34-18-40-71(73)75)56-28-16-24-52(44-56)50-22-14-26-54(42-50)59-46-58(49-20-4-3-5-21-49)47-60(48-59)55-27-15-23-51(43-55)53-25-17-29-57(45-53)62-35-19-41-72-74(62)66-33-9-13-39-70(66)76(72)68-37-11-6-30-63(68)64-31-7-12-38-69(64)76/h3-48H,1-2H3
InChIKeyDDXCBYMWSYUOBG-UHFFFAOYSA-N
MW965.25 g/mol
LogP20.01
Rot. Bonds7

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

4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] (PubChem CID 177115855) has the molecular formula C76H52 and a molecular weight of 965.25 g/mol. Its IUPAC name is 4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
PubChem CID177115855
Molecular FormulaC76H52
Molecular Weight965.25 g/mol
Exact Mass964.41
IUPAC Name4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc(-c7cccc(-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)c7)c6)c5)c4)c3)cccc21
InChIInChI=1S/C76H52/c1-75(2)67-36-10-8-32-65(67)73-61(34-18-40-71(73)75)56-28-16-24-52(44-56)50-22-14-26-54(42-50)59-46-58(49-20-4-3-5-21-49)47-60(48-59)55-27-15-23-51(43-55)53-25-17-29-57(45-53)62-35-19-41-72-74(62)66-33-9-13-39-70(66)76(72)68-37-11-6-30-63(68)64-31-7-12-38-69(64)76/h3-48H,1-2H3
InChIKeyDDXCBYMWSYUOBG-UHFFFAOYSA-N
XLogP20.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.25
LogP ≤ 520.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
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-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine
CID 146661203
4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene
CID 140873499
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 165158281
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4'-yl]phenyl]fluoren-4-amine
CID 129259115
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 154972984

Frequently Asked Questions

What is the IUPAC name of 4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] (CID 177115855) is 4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] is CC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc(-c7cccc(-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)c7)c6)c5)c4)c3)cccc21.
What is the InChIKey of 4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is DDXCBYMWSYUOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52/c1-75(2)67-36-10-8-32-65(67)73-61(34-18-40-71(73)75)56-28-16-24-52(44-56)50-22-14-26-54(42-50)59-46-58(49-20-4-3-5-21-49)47-60(48-59)55-27-15-23-51(43-55)53-25-17-29-57(45-53)62-35-19-41-72-74(62)66-33-9-13-39-70(66)76(72)68-37-11-6-30-63(68)64-31-7-12-38-69(64)76/h3-48H,1-2H3.
What are the key properties of 4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 965.25 g/mol, XLogP of 20.01, 7 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-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 177115855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).