[3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone

C90H60O4 — CID 89110341

IUPAC[3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone
SMILESC=C(c1cc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)cc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)c1)c1cc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)cc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C90H60O4/c1-60(81-54-83(69-34-18-42-77(50-69)87(91)73-38-14-30-65(46-73)61-22-6-2-7-23-61)58-84(55-81)70-35-19-43-78(51-70)88(92)74-39-15-31-66(47-74)62-24-8-3-9-25-62)82-56-85(71-36-20-44-79(52-71)89(93)75-40-16-32-67(48-75)63-26-10-4-11-27-63)59-86(57-82)72-37-21-45-80(53-72)90(94)76-41-17-33-68(49-76)64-28-12-5-13-29-64/h2-59H,1H2
InChIKeyGFOFPEBPAJRFHX-UHFFFAOYSA-N
MW1205.47 g/mol
LogP22.01
Rot. Bonds18

About [3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone

[3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone (PubChem CID 89110341) has the molecular formula C90H60O4 and a molecular weight of 1205.47 g/mol. Its IUPAC name is [3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone.

Molecular Properties

Compound Name[3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone
PubChem CID89110341
Molecular FormulaC90H60O4
Molecular Weight1205.47 g/mol
Exact Mass1204.45
IUPAC Name[3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone
SMILESC=C(c1cc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)cc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)c1)c1cc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)cc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C90H60O4/c1-60(81-54-83(69-34-18-42-77(50-69)87(91)73-38-14-30-65(46-73)61-22-6-2-7-23-61)58-84(55-81)70-35-19-43-78(51-70)88(92)74-39-15-31-66(47-74)62-24-8-3-9-25-62)82-56-85(71-36-20-44-79(52-71)89(93)75-40-16-32-67(48-75)63-26-10-4-11-27-63)59-86(57-82)72-37-21-45-80(53-72)90(94)76-41-17-33-68(49-76)64-28-12-5-13-29-64/h2-59H,1H2
InChIKeyGFOFPEBPAJRFHX-UHFFFAOYSA-N
XLogP22.01
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.47
LogP ≤ 522.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
CID 58299054
[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-(3,5-diphenylphenyl)methanone
CID 58299161
1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
CID 145452335
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
[(3S)-3-methyl-3-phenylcyclohexa-1,5-dien-1-yl]-[3-[3-[3-(3-phenylbenzoyl)phenyl]-5-[3-[3-(3-phenylbenzoyl)phenyl]-5-[3-[1-(3-phenylphenyl)ethenyl]phenyl]benzoyl]phenyl]phenyl]methanone
CID 118501041
[3-(3-ethenylphenyl)phenyl]-phenylmethanone
CID 89282549
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
(3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone
CID 140587112
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
(3,5-diphenylphenyl)-[3-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]methanone
CID 140587200
[3-(3-phenylbenzoyl)phenyl] acetate
CID 131863068
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783

Frequently Asked Questions

What is the IUPAC name of [3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone?
The IUPAC name of [3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone (CID 89110341) is [3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone.
What is the SMILES notation for [3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone?
The canonical SMILES for [3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone is C=C(c1cc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)cc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)c1)c1cc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)cc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)c1.
What is the InChIKey of [3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone?
The InChIKey is GFOFPEBPAJRFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60O4/c1-60(81-54-83(69-34-18-42-77(50-69)87(91)73-38-14-30-65(46-73)61-22-6-2-7-23-61)58-84(55-81)70-35-19-43-78(51-70)88(92)74-39-15-31-66(47-74)62-24-8-3-9-25-62)82-56-85(71-36-20-44-79(52-71)89(93)75-40-16-32-67(48-75)63-26-10-4-11-27-63)59-86(57-82)72-37-21-45-80(53-72)90(94)76-41-17-33-68(49-76)64-28-12-5-13-29-64/h2-59H,1H2.
What are the key properties of [3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone?
[3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone has a molecular weight of 1205.47 g/mol, XLogP of 22.01, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[1-[3,5-bis[3-(3-phenylbenzoyl)phenyl]phenyl]ethenyl]-5-[3-(3-phenylbenzoyl)phenyl]phenyl]phenyl]-(3-phenylphenyl)methanone is sourced from PubChem (CID 89110341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).