2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene

C55H44 — CID 143207770

IUPAC2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene
SMILESCCC1c2cc(-c3cccc(-c4ccccc4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C(C)C)c3cc(-c5cccc(-c6ccccc6)c5)ccc3-4)cc21
InChIInChI=1S/C55H44/c1-4-46-51-31-42(40-19-11-17-38(29-40)36-13-7-5-8-14-36)21-25-47(51)48-26-22-43(32-52(46)48)45-24-28-50-49-27-23-44(33-53(49)55(35(2)3)54(50)34-45)41-20-12-18-39(30-41)37-15-9-6-10-16-37/h5-35,46,55H,4H2,1-3H3
InChIKeyFTMMJBHVRWPRAO-UHFFFAOYSA-N
MW704.96 g/mol
LogP15.31
Rot. Bonds7

About 2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene

2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene (PubChem CID 143207770) has the molecular formula C55H44 and a molecular weight of 704.96 g/mol. Its IUPAC name is 2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene.

Molecular Properties

Compound Name2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene
PubChem CID143207770
Molecular FormulaC55H44
Molecular Weight704.96 g/mol
Exact Mass704.34
IUPAC Name2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene
SMILESCCC1c2cc(-c3cccc(-c4ccccc4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C(C)C)c3cc(-c5cccc(-c6ccccc6)c5)ccc3-4)cc21
InChIInChI=1S/C55H44/c1-4-46-51-31-42(40-19-11-17-38(29-40)36-13-7-5-8-14-36)21-25-47(51)48-26-22-43(32-52(46)48)45-24-28-50-49-27-23-44(33-53(49)55(35(2)3)54(50)34-45)41-20-12-18-39(30-41)37-15-9-6-10-16-37/h5-35,46,55H,4H2,1-3H3
InChIKeyFTMMJBHVRWPRAO-UHFFFAOYSA-N
XLogP15.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.96
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene?
The IUPAC name of 2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene (CID 143207770) is 2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene.
What is the SMILES notation for 2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene?
The canonical SMILES for 2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene is CCC1c2cc(-c3cccc(-c4ccccc4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C(C)C)c3cc(-c5cccc(-c6ccccc6)c5)ccc3-4)cc21.
What is the InChIKey of 2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene?
The InChIKey is FTMMJBHVRWPRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44/c1-4-46-51-31-42(40-19-11-17-38(29-40)36-13-7-5-8-14-36)21-25-47(51)48-26-22-43(32-52(46)48)45-24-28-50-49-27-23-44(33-53(49)55(35(2)3)54(50)34-45)41-20-12-18-39(30-41)37-15-9-6-10-16-37/h5-35,46,55H,4H2,1-3H3.
What are the key properties of 2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene?
2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene has a molecular weight of 704.96 g/mol, XLogP of 15.31, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-ethyl-7-(3-phenylphenyl)-9H-fluoren-2-yl]-7-(3-phenylphenyl)-9-propan-2-yl-9H-fluorene is sourced from PubChem (CID 143207770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).