9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene

C65H50 — CID 166060136

IUPAC9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene
SMILESc1ccc(CCC2(CCc3ccccc3)c3cc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)ccc3-c3ccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc32)cc1
InChIInChI=1S/C65H50/c1-5-15-47(16-6-1)39-41-65(42-40-48-17-7-2-8-18-48)63-45-59(57-25-13-23-55(43-57)53-31-27-51(28-32-53)49-19-9-3-10-20-49)35-37-61(63)62-38-36-60(46-64(62)65)58-26-14-24-56(44-58)54-33-29-52(30-34-54)50-21-11-4-12-22-50/h1-38,43-46H,39-42H2
InChIKeyZLPHJZYDEWJKFA-UHFFFAOYSA-N
MW831.12 g/mol
LogP17.22
Rot. Bonds12

About 9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene

9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene (PubChem CID 166060136) has the molecular formula C65H50 and a molecular weight of 831.12 g/mol. Its IUPAC name is 9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene
PubChem CID166060136
Molecular FormulaC65H50
Molecular Weight831.12 g/mol
Exact Mass830.39
IUPAC Name9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene
SMILESc1ccc(CCC2(CCc3ccccc3)c3cc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)ccc3-c3ccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc32)cc1
InChIInChI=1S/C65H50/c1-5-15-47(16-6-1)39-41-65(42-40-48-17-7-2-8-18-48)63-45-59(57-25-13-23-55(43-57)53-31-27-51(28-32-53)49-19-9-3-10-20-49)35-37-61(63)62-38-36-60(46-64(62)65)58-26-14-24-56(44-58)54-33-29-52(30-34-54)50-21-11-4-12-22-50/h1-38,43-46H,39-42H2
InChIKeyZLPHJZYDEWJKFA-UHFFFAOYSA-N
XLogP17.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.12
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[9,9-bis(2-phenylethyl)-7-pyren-4-ylfluoren-2-yl]pyrene
CID 166060127
3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine
CID 102583704
2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene
CID 58251073
2-phenyl-9,9-dipropylfluorene
CID 154114384
[9,9-bis(2-phenylethyl)-7-trimethylsilylfluoren-2-yl]-trimethylsilane
CID 153325067
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol
CID 162688543
2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline
CID 158202817
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
[9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol
CID 167328411
3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid
CID 102581615
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene?
The IUPAC name of 9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene (CID 166060136) is 9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene.
What is the SMILES notation for 9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene?
The canonical SMILES for 9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene is c1ccc(CCC2(CCc3ccccc3)c3cc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)ccc3-c3ccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc32)cc1.
What is the InChIKey of 9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene?
The InChIKey is ZLPHJZYDEWJKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50/c1-5-15-47(16-6-1)39-41-65(42-40-48-17-7-2-8-18-48)63-45-59(57-25-13-23-55(43-57)53-31-27-51(28-32-53)49-19-9-3-10-20-49)35-37-61(63)62-38-36-60(46-64(62)65)58-26-14-24-56(44-58)54-33-29-52(30-34-54)50-21-11-4-12-22-50/h1-38,43-46H,39-42H2.
What are the key properties of 9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene?
9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene has a molecular weight of 831.12 g/mol, XLogP of 17.22, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene is sourced from PubChem (CID 166060136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).