(2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione

C46H34O2 — CID 139037325

IUPAC(2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione
SMILESO=C(/C=C(C(=C/C=C(C(=C/C(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1
InChIInChI=1S/C46H34O2/c47-45(39-27-15-5-16-28-39)33-43(37-23-11-3-12-24-37)41(35-19-7-1-8-20-35)31-32-42(36-21-9-2-10-22-36)44(38-25-13-4-14-26-38)34-46(48)40-29-17-6-18-30-40/h1-34H/b41-31-,42-32-,43-33-,44-34-
InChIKeyMHLZKFZDVZYFRI-ZEHKMYHASA-N
MW618.78 g/mol
LogP11.09
Rot. Bonds11

About (2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione

(2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione (PubChem CID 139037325) has the molecular formula C46H34O2 and a molecular weight of 618.78 g/mol. Its IUPAC name is (2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione.

Molecular Properties

Compound Name(2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione
PubChem CID139037325
Molecular FormulaC46H34O2
Molecular Weight618.78 g/mol
Exact Mass618.26
IUPAC Name(2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione
SMILESO=C(/C=C(C(=C/C=C(C(=C/C(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1
InChIInChI=1S/C46H34O2/c47-45(39-27-15-5-16-28-39)33-43(37-23-11-3-12-24-37)41(35-19-7-1-8-20-35)31-32-42(36-21-9-2-10-22-36)44(38-25-13-4-14-26-38)34-46(48)40-29-17-6-18-30-40/h1-34H/b41-31-,42-32-,43-33-,44-34-
InChIKeyMHLZKFZDVZYFRI-ZEHKMYHASA-N
XLogP11.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione with MolForge

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Related Compounds

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CID 5369696
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CID 5369713
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737
(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
CID 12890118
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
(E)-3-bromo-1-phenylbut-2-en-1-one
CID 13299915
2-hydroxy-5-phenylhexa-2,4-dienedioic acid
CID 71424281
CID 50937319
CID 50937319
sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
CID 173426238
phenacylidenetungsten
CID 139264471
hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)
CID 135667027

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione?
The IUPAC name of (2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione (CID 139037325) is (2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione.
What is the SMILES notation for (2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione?
The canonical SMILES for (2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione is O=C(/C=C(C(=C/C=C(C(=C/C(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione?
The InChIKey is MHLZKFZDVZYFRI-ZEHKMYHASA-N. The full InChI is InChI=1S/C46H34O2/c47-45(39-27-15-5-16-28-39)33-43(37-23-11-3-12-24-37)41(35-19-7-1-8-20-35)31-32-42(36-21-9-2-10-22-36)44(38-25-13-4-14-26-38)34-46(48)40-29-17-6-18-30-40/h1-34H/b41-31-,42-32-,43-33-,44-34-.
What are the key properties of (2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione?
(2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione has a molecular weight of 618.78 g/mol, XLogP of 11.09, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione is sourced from PubChem (CID 139037325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).