9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene

C73H82 — CID 58142028

IUPAC9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene
SMILESCC(C)c1cc(-c2cc(-c3cc(C(C)C)cc(C(C)C)c3)cc(C3(c4cc(-c5cc(C(C)C)cc(C(C)C)c5)cc(-c5cc(C(C)C)cc(C(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)cc(C(C)C)c1
InChIInChI=1S/C73H82/c1-43(2)51-25-52(44(3)4)30-59(29-51)63-37-64(60-31-53(45(5)6)26-54(32-60)46(7)8)40-67(39-63)73(71-23-19-17-21-69(71)70-22-18-20-24-72(70)73)68-41-65(61-33-55(47(9)10)27-56(34-61)48(11)12)38-66(42-68)62-35-57(49(13)14)28-58(36-62)50(15)16/h17-50H,1-16H3
InChIKeyOWJOJQLYLIGIJF-UHFFFAOYSA-N
MW959.46 g/mol
LogP21.70
Rot. Bonds14

About 9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene

9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene (PubChem CID 58142028) has the molecular formula C73H82 and a molecular weight of 959.46 g/mol. Its IUPAC name is 9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene
PubChem CID58142028
Molecular FormulaC73H82
Molecular Weight959.46 g/mol
Exact Mass958.64
IUPAC Name9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene
SMILESCC(C)c1cc(-c2cc(-c3cc(C(C)C)cc(C(C)C)c3)cc(C3(c4cc(-c5cc(C(C)C)cc(C(C)C)c5)cc(-c5cc(C(C)C)cc(C(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)cc(C(C)C)c1
InChIInChI=1S/C73H82/c1-43(2)51-25-52(44(3)4)30-59(29-51)63-37-64(60-31-53(45(5)6)26-54(32-60)46(7)8)40-67(39-63)73(71-23-19-17-21-69(71)70-22-18-20-24-72(70)73)68-41-65(61-33-55(47(9)10)27-56(34-61)48(11)12)38-66(42-68)62-35-57(49(13)14)28-58(36-62)50(15)16/h17-50H,1-16H3
InChIKeyOWJOJQLYLIGIJF-UHFFFAOYSA-N
XLogP21.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.46
LogP ≤ 521.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
CID 88886282
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene
CID 58142034
9,9-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]fluorene
CID 140710796
4-[3-[9-[3,5-bis(4-cyanophenyl)phenyl]fluoren-9-yl]-5-(4-cyanophenyl)phenyl]benzonitrile
CID 67472777
[3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane
CID 58142196
4-phenyl-6-(3-phenyl-5-propan-2-ylphenyl)-2-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 146663925
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
3-[3-[9-[3,5-bis(3-cyano-5-methylphenyl)phenyl]fluoren-9-yl]-5-(3-cyano-5-methylphenyl)phenyl]-5-methylbenzonitrile
CID 70792678
3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol
CID 175617635
2-[4-[3-[9-[3,5-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]fluoren-9-yl]-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 143873591
9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067292

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene?
The IUPAC name of 9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene (CID 58142028) is 9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene.
What is the SMILES notation for 9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene?
The canonical SMILES for 9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene is CC(C)c1cc(-c2cc(-c3cc(C(C)C)cc(C(C)C)c3)cc(C3(c4cc(-c5cc(C(C)C)cc(C(C)C)c5)cc(-c5cc(C(C)C)cc(C(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)cc(C(C)C)c1.
What is the InChIKey of 9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene?
The InChIKey is OWJOJQLYLIGIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H82/c1-43(2)51-25-52(44(3)4)30-59(29-51)63-37-64(60-31-53(45(5)6)26-54(32-60)46(7)8)40-67(39-63)73(71-23-19-17-21-69(71)70-22-18-20-24-72(70)73)68-41-65(61-33-55(47(9)10)27-56(34-61)48(11)12)38-66(42-68)62-35-57(49(13)14)28-58(36-62)50(15)16/h17-50H,1-16H3.
What are the key properties of 9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene?
9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene has a molecular weight of 959.46 g/mol, XLogP of 21.70, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene is sourced from PubChem (CID 58142028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).