4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]

C79H52 — CID 166563560

IUPAC4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)cc3)c2)cc1
InChIInChI=1S/C79H52/c1-5-20-53(21-6-1)61-44-62(54-22-7-2-8-23-54)47-65(46-61)57-36-40-59(41-37-57)67-50-68(60-42-38-58(39-43-60)66-48-63(55-24-9-3-10-25-55)45-64(49-66)56-26-11-4-12-27-56)52-69(51-67)70-31-19-35-77-78(70)73-30-15-18-34-76(73)79(77)74-32-16-13-28-71(74)72-29-14-17-33-75(72)79/h1-52H
InChIKeyLBMAGDUEAYCQKU-UHFFFAOYSA-N
MW1001.28 g/mol
LogP21.03
Rot. Bonds9

About 4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]

4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] (PubChem CID 166563560) has the molecular formula C79H52 and a molecular weight of 1001.28 g/mol. Its IUPAC name is 4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
PubChem CID166563560
Molecular FormulaC79H52
Molecular Weight1001.28 g/mol
Exact Mass1000.41
IUPAC Name4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)cc3)c2)cc1
InChIInChI=1S/C79H52/c1-5-20-53(21-6-1)61-44-62(54-22-7-2-8-23-54)47-65(46-61)57-36-40-59(41-37-57)67-50-68(60-42-38-58(39-43-60)66-48-63(55-24-9-3-10-25-55)45-64(49-66)56-26-11-4-12-27-56)52-69(51-67)70-31-19-35-77-78(70)73-30-15-18-34-76(73)79(77)74-32-16-13-28-71(74)72-29-14-17-33-75(72)79/h1-52H
InChIKeyLBMAGDUEAYCQKU-UHFFFAOYSA-N
XLogP21.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.28
LogP ≤ 521.03
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
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 165158281
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250
2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356706
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 159399001
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-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
4-phenyl-2-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356492
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272127

Frequently Asked Questions

What is the IUPAC name of 4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] (CID 166563560) is 4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c4)cc3)c2)cc1.
What is the InChIKey of 4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is LBMAGDUEAYCQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52/c1-5-20-53(21-6-1)61-44-62(54-22-7-2-8-23-54)47-65(46-61)57-36-40-59(41-37-57)67-50-68(60-42-38-58(39-43-60)66-48-63(55-24-9-3-10-25-55)45-64(49-66)56-26-11-4-12-27-56)52-69(51-67)70-31-19-35-77-78(70)73-30-15-18-34-76(73)79(77)74-32-16-13-28-71(74)72-29-14-17-33-75(72)79/h1-52H.
What are the key properties of 4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]?
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 1001.28 g/mol, XLogP of 21.03, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 166563560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).