2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium)

C73H44Y4-4 — CID 59968229

IUPAC2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium)
SMILES[Y].[Y].[Y].[Y].[c-]1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7cc[c-]cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6cc[c-]cc6)cc5)ccc4-c4ccc(-c5ccc(-c6cc[c-]cc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C73H44.4Y/c1-5-13-49(14-6-1)53-21-29-57(30-22-53)61-37-41-65-66-42-38-62(58-31-23-54(24-32-58)50-15-7-2-8-16-50)46-70(66)73(69(65)45-61)71-47-63(59-33-25-55(26-34-59)51-17-9-3-10-18-51)39-43-67(71)68-44-40-64(48-72(68)73)60-35-27-56(28-36-60)52-19-11-4-12-20-52;;;;/h5-48H;;;;/q-4;;;;
InChIKeyMMYNDFPNBRKRCY-UHFFFAOYSA-N
MW1276.78 g/mol
LogP18.56
Rot. Bonds8

About 2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium)

2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium) (PubChem CID 59968229) has the molecular formula C73H44Y4-4 and a molecular weight of 1276.78 g/mol. Its IUPAC name is 2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium).

Molecular Properties

Compound Name2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium)
PubChem CID59968229
Molecular FormulaC73H44Y4-4
Molecular Weight1276.78 g/mol
Exact Mass1275.97
IUPAC Name2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium)
SMILES[Y].[Y].[Y].[Y].[c-]1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7cc[c-]cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6cc[c-]cc6)cc5)ccc4-c4ccc(-c5ccc(-c6cc[c-]cc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C73H44.4Y/c1-5-13-49(14-6-1)53-21-29-57(30-22-53)61-37-41-65-66-42-38-62(58-31-23-54(24-32-58)50-15-7-2-8-16-50)46-70(66)73(69(65)45-61)71-47-63(59-33-25-55(26-34-59)51-17-9-3-10-18-51)39-43-67(71)68-44-40-64(48-72(68)73)60-35-27-56(28-36-60)52-19-11-4-12-20-52;;;;/h5-48H;;;;/q-4;;;;
InChIKeyMMYNDFPNBRKRCY-UHFFFAOYSA-N
XLogP18.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001276.78
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140756930
4-[2',7,7'-tris(4-cyanophenyl)-9,9'-spirobi[fluorene]-2-yl]benzonitrile
CID 59565907
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027
2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium
CID 148599359
2,2',7,7'-tetrakis[4-(3-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140757122
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599
2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 173227728
diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane
CID 102359075
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
4-(17-phenylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene]-11-yl)pyridine
CID 134571333

Frequently Asked Questions

What is the IUPAC name of 2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium)?
The IUPAC name of 2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium) (CID 59968229) is 2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium).
What is the SMILES notation for 2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium)?
The canonical SMILES for 2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium) is [Y].[Y].[Y].[Y].[c-]1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7cc[c-]cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6cc[c-]cc6)cc5)ccc4-c4ccc(-c5ccc(-c6cc[c-]cc6)cc5)cc43)cc2)cc1.
What is the InChIKey of 2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium)?
The InChIKey is MMYNDFPNBRKRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44.4Y/c1-5-13-49(14-6-1)53-21-29-57(30-22-53)61-37-41-65-66-42-38-62(58-31-23-54(24-32-58)50-15-7-2-8-16-50)46-70(66)73(69(65)45-61)71-47-63(59-33-25-55(26-34-59)51-17-9-3-10-18-51)39-43-67(71)68-44-40-64(48-72(68)73)60-35-27-56(28-36-60)52-19-11-4-12-20-52;;;;/h5-48H;;;;/q-4;;;;.
What are the key properties of 2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium)?
2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium) has a molecular weight of 1276.78 g/mol, XLogP of 18.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium) is sourced from PubChem (CID 59968229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).