3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene]

C87H72 — CID 123592677

IUPAC3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene]
SMILESCC(c1ccc2c(c1)-c1cc(CC(c3ccccc3-c3ccccc3)C(C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc1C21c2ccccc2-c2ccccc21)C(Cc1ccccc1-c1ccccc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C87H72/c1-55(73(52-62-29-13-14-30-64(62)58-25-9-7-10-26-58)63-43-46-72-68-34-18-22-38-78(68)86(5,6)84(72)54-63)60-44-48-82-76(51-60)75-50-57(41-47-81(75)87(82)79-39-23-19-35-69(79)70-36-20-24-40-80(70)87)49-74(66-32-16-15-31-65(66)59-27-11-8-12-28-59)56(2)61-42-45-71-67-33-17-21-37-77(67)85(3,4)83(71)53-61/h7-48,50-51,53-56,73-74H,49,52H2,1-6H3
InChIKeyWKOMBLLADVADNV-UHFFFAOYSA-N
MW1117.53 g/mol
LogP22.24
Rot. Bonds12

About 3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene]

3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene] (PubChem CID 123592677) has the molecular formula C87H72 and a molecular weight of 1117.53 g/mol. Its IUPAC name is 3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene]
PubChem CID123592677
Molecular FormulaC87H72
Molecular Weight1117.53 g/mol
Exact Mass1116.56
IUPAC Name3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene]
SMILESCC(c1ccc2c(c1)-c1cc(CC(c3ccccc3-c3ccccc3)C(C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc1C21c2ccccc2-c2ccccc21)C(Cc1ccccc1-c1ccccc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C87H72/c1-55(73(52-62-29-13-14-30-64(62)58-25-9-7-10-26-58)63-43-46-72-68-34-18-22-38-78(68)86(5,6)84(72)54-63)60-44-48-82-76(51-60)75-50-57(41-47-81(75)87(82)79-39-23-19-35-69(79)70-36-20-24-40-80(70)87)49-74(66-32-16-15-31-65(66)59-27-11-8-12-28-59)56(2)61-42-45-71-67-33-17-21-37-77(67)85(3,4)83(71)53-61/h7-48,50-51,53-56,73-74H,49,52H2,1-6H3
InChIKeyWKOMBLLADVADNV-UHFFFAOYSA-N
XLogP22.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001117.53
LogP ≤ 522.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
CID 90706783
1,3-ditert-butyl-5-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)butan-2-yl]-9,9-diphenylfluorene
CID 178110343
3-[3-[2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1-(2-phenylphenyl)propyl]spiro[fluorene-9,9'-thioxanthene]
CID 170180419
1-N,1-N,4-N-triphenyl-4-N-[7'-[1-phenyl-3-[4-(N-phenylanilino)phenyl]butan-2-yl]-9,9'-spirobi[fluorene]-2'-yl]benzene-1,4-diamine
CID 143437974
2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene
CID 142541185
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
CID 144810151
4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 140941835
2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene
CID 146644661
1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran
CID 164529127
2-[4-[2-(9,9-dimethylfluoren-2-yl)-2-(3-phenylphenyl)ethyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174008153
2'-[4-(9,9-dimethylfluoren-2-yl)-3-(2-methyl-4-phenylphenyl)butyl]-5'-phenyl-9,9'-spirobi[fluorene]
CID 142521242
9-[[4-[4-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)propyl]phenyl]phenyl]methyl]-10,10-dimethyl-9H-indeno[1,2-a]indene
CID 144960596

Frequently Asked Questions

What is the IUPAC name of 3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene] (CID 123592677) is 3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene] is CC(c1ccc2c(c1)-c1cc(CC(c3ccccc3-c3ccccc3)C(C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc1C21c2ccccc2-c2ccccc21)C(Cc1ccccc1-c1ccccc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene]?
The InChIKey is WKOMBLLADVADNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H72/c1-55(73(52-62-29-13-14-30-64(62)58-25-9-7-10-26-58)63-43-46-72-68-34-18-22-38-78(68)86(5,6)84(72)54-63)60-44-48-82-76(51-60)75-50-57(41-47-81(75)87(82)79-39-23-19-35-69(79)70-36-20-24-40-80(70)87)49-74(66-32-16-15-31-65(66)59-27-11-8-12-28-59)56(2)61-42-45-71-67-33-17-21-37-77(67)85(3,4)83(71)53-61/h7-48,50-51,53-56,73-74H,49,52H2,1-6H3.
What are the key properties of 3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene]?
3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene] has a molecular weight of 1117.53 g/mol, XLogP of 22.24, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9,9-dimethylfluoren-2-yl)-4-(2-phenylphenyl)butan-2-yl]-6-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)butyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 123592677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).