2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]

C77H56 — CID 140756930

IUPAC2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
SMILESCc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(C)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(C)cc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccc(C)cc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C77H56/c1-49-5-13-53(14-6-49)57-21-29-61(30-22-57)65-37-41-69-70-42-38-66(62-31-23-58(24-32-62)54-15-7-50(2)8-16-54)46-74(70)77(73(69)45-65)75-47-67(63-33-25-59(26-34-63)55-17-9-51(3)10-18-55)39-43-71(75)72-44-40-68(48-76(72)77)64-35-27-60(28-36-64)56-19-11-52(4)12-20-56/h5-48H,1-4H3
InChIKeyWMZBSXOCTBTBCT-UHFFFAOYSA-N
MW981.29 g/mol
LogP20.60
Rot. Bonds8

About 2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]

2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene] (PubChem CID 140756930) has the molecular formula C77H56 and a molecular weight of 981.29 g/mol. Its IUPAC name is 2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
PubChem CID140756930
Molecular FormulaC77H56
Molecular Weight981.29 g/mol
Exact Mass980.44
IUPAC Name2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
SMILESCc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(C)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(C)cc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccc(C)cc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C77H56/c1-49-5-13-53(14-6-49)57-21-29-61(30-22-57)65-37-41-69-70-42-38-66(62-31-23-58(24-32-62)54-15-7-50(2)8-16-54)46-74(70)77(73(69)45-65)75-47-67(63-33-25-59(26-34-63)55-17-9-51(3)10-18-55)39-43-71(75)72-44-40-68(48-76(72)77)64-35-27-60(28-36-64)56-19-11-52(4)12-20-56/h5-48H,1-4H3
InChIKeyWMZBSXOCTBTBCT-UHFFFAOYSA-N
XLogP20.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.29
LogP ≤ 520.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599
2,2',7,7'-tetrakis[4-(3-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140757122
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
2,2',7,7'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene];tetrakis(yttrium)
CID 59968229
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
4-[6-(4-formylphenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzaldehyde
CID 58544474
2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene
CID 58795241
4-[2',7,7'-tris(4-cyanophenyl)-9,9'-spirobi[fluorene]-2-yl]benzonitrile
CID 59565907
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene
CID 90936800
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061

Frequently Asked Questions

What is the IUPAC name of 2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene] (CID 140756930) is 2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene] is Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(C)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(C)cc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccc(C)cc6)cc5)cc43)cc2)cc1.
What is the InChIKey of 2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is WMZBSXOCTBTBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H56/c1-49-5-13-53(14-6-49)57-21-29-61(30-22-57)65-37-41-69-70-42-38-66(62-31-23-58(24-32-62)54-15-7-50(2)8-16-54)46-74(70)77(73(69)45-65)75-47-67(63-33-25-59(26-34-63)55-17-9-51(3)10-18-55)39-43-71(75)72-44-40-68(48-76(72)77)64-35-27-60(28-36-64)56-19-11-52(4)12-20-56/h5-48H,1-4H3.
What are the key properties of 2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]?
2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 981.29 g/mol, XLogP of 20.60, 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-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 140756930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).