9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene

C69H58 — CID 140873472

IUPAC9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(C3(c4cccc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(C(C)(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C69H58/c1-67(2,3)61-43-55(51-27-17-25-49(37-51)47-21-9-7-10-22-47)39-57(45-61)53-29-19-31-59(41-53)69(65-35-15-13-33-63(65)64-34-14-16-36-66(64)69)60-32-20-30-54(42-60)58-40-56(44-62(46-58)68(4,5)6)52-28-18-26-50(38-52)48-23-11-8-12-24-48/h7-46H,1-6H3
InChIKeyADNGMCWTQSGFBT-UHFFFAOYSA-N
MW887.22 g/mol
LogP18.65
Rot. Bonds8

About 9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene

9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene (PubChem CID 140873472) has the molecular formula C69H58 and a molecular weight of 887.22 g/mol. Its IUPAC name is 9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
PubChem CID140873472
Molecular FormulaC69H58
Molecular Weight887.22 g/mol
Exact Mass886.45
IUPAC Name9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(C3(c4cccc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(C(C)(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C69H58/c1-67(2,3)61-43-55(51-27-17-25-49(37-51)47-21-9-7-10-22-47)39-57(45-61)53-29-19-31-59(41-53)69(65-35-15-13-33-63(65)64-34-14-16-36-66(64)69)60-32-20-30-54(42-60)58-40-56(44-62(46-58)68(4,5)6)52-28-18-26-50(38-52)48-23-11-8-12-24-48/h7-46H,1-6H3
InChIKeyADNGMCWTQSGFBT-UHFFFAOYSA-N
XLogP18.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.22
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
4-[3-[3-[9-[3-(3,5-ditert-butylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]-9,9-dimethylfluorene
CID 140873499
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
9,9-bis[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-4-phenylfluorene
CID 164755528
2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 171749098
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene
CID 164755546
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene
CID 164755273
3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol
CID 175617635
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene?
The IUPAC name of 9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene (CID 140873472) is 9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene.
What is the SMILES notation for 9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene?
The canonical SMILES for 9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene is CC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(C3(c4cccc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(C(C)(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)c1.
What is the InChIKey of 9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene?
The InChIKey is ADNGMCWTQSGFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H58/c1-67(2,3)61-43-55(51-27-17-25-49(37-51)47-21-9-7-10-22-47)39-57(45-61)53-29-19-31-59(41-53)69(65-35-15-13-33-63(65)64-34-14-16-36-66(64)69)60-32-20-30-54(42-60)58-40-56(44-62(46-58)68(4,5)6)52-28-18-26-50(38-52)48-23-11-8-12-24-48/h7-46H,1-6H3.
What are the key properties of 9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene?
9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene has a molecular weight of 887.22 g/mol, XLogP of 18.65, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[3-[3-tert-butyl-5-(3-phenylphenyl)phenyl]phenyl]fluorene is sourced from PubChem (CID 140873472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).