[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone

C55H58O2 — CID 71131328

IUPAC[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(C(=O)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc21
InChIInChI=1S/C55H58O2/c1-5-9-17-39(7-3)37-55(38-40(8-4)18-10-6-2)51-35-47(41-23-27-45(28-24-41)53(56)43-19-13-11-14-20-43)31-33-49(51)50-34-32-48(36-52(50)55)42-25-29-46(30-26-42)54(57)44-21-15-12-16-22-44/h11-16,19-36,39-40H,5-10,17-18,37-38H2,1-4H3
InChIKeyDGLFKIBBDQNYSE-UHFFFAOYSA-N
MW751.07 g/mol
LogP14.96
Rot. Bonds18

About [4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone

[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone (PubChem CID 71131328) has the molecular formula C55H58O2 and a molecular weight of 751.07 g/mol. Its IUPAC name is [4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone
PubChem CID71131328
Molecular FormulaC55H58O2
Molecular Weight751.07 g/mol
Exact Mass750.44
IUPAC Name[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(C(=O)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc21
InChIInChI=1S/C55H58O2/c1-5-9-17-39(7-3)37-55(38-40(8-4)18-10-6-2)51-35-47(41-23-27-45(28-24-41)53(56)43-19-13-11-14-20-43)31-33-49(51)50-34-32-48(36-52(50)55)42-25-29-46(30-26-42)54(57)44-21-15-12-16-22-44/h11-16,19-36,39-40H,5-10,17-18,37-38H2,1-4H3
InChIKeyDGLFKIBBDQNYSE-UHFFFAOYSA-N
XLogP14.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.07
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene
CID 86093242
9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole
CID 101417664
2-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methylfluoren-9-one
CID 20751967
diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone
CID 174464692
9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene
CID 101402218
2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene
CID 101479734
2-(9,9-dipropylfluoren-2-yl)-5-[5-[7-[5-[5-[7-[5-[5-(9,9-dipropylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]thiophen-2-yl]thiophene
CID 101479733
2,4,6-tris[4-[(E)-2-[9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,5-triazine
CID 102358497
4-[7-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]-7-methyl-2,1,3-benzothiadiazole
CID 23568231
1-[4-(9,9-dihexylfluoren-2-yl)phenyl]ethanone
CID 142722854
diphenylmethanone;3-methylheptane
CID 174880774

Frequently Asked Questions

What is the IUPAC name of [4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone?
The IUPAC name of [4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone (CID 71131328) is [4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone is CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccc(C(=O)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc21.
What is the InChIKey of [4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone?
The InChIKey is DGLFKIBBDQNYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H58O2/c1-5-9-17-39(7-3)37-55(38-40(8-4)18-10-6-2)51-35-47(41-23-27-45(28-24-41)53(56)43-19-13-11-14-20-43)31-33-49(51)50-34-32-48(36-52(50)55)42-25-29-46(30-26-42)54(57)44-21-15-12-16-22-44/h11-16,19-36,39-40H,5-10,17-18,37-38H2,1-4H3.
What are the key properties of [4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone?
[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone has a molecular weight of 751.07 g/mol, XLogP of 14.96, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 71131328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).