5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid)

C55H50O10 — CID 173127720

IUPAC5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.O=C(O)C(C=Cc1ccccc1)=C(C=Cc1ccccc1)C(C=Cc1ccccc1)=C(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C43H34O2.4C3H4O2/c44-43(45)42(33-29-37-22-12-4-13-23-37)41(32-28-36-20-10-3-11-21-36)40(31-27-35-18-8-2-9-19-35)39(38-24-14-5-15-25-38)30-26-34-16-6-1-7-17-34;4*1-2-3(4)5/h1-33H,(H,44,45);4*2H,1H2,(H,4,5)
InChIKeyVXCVTRHAXKWFIX-UHFFFAOYSA-N
MW870.99 g/mol
LogP11.70
Rot. Bonds15

About 5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid)

5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid) (PubChem CID 173127720) has the molecular formula C55H50O10 and a molecular weight of 870.99 g/mol. Its IUPAC name is 5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid).

Molecular Properties

Compound Name5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid)
PubChem CID173127720
Molecular FormulaC55H50O10
Molecular Weight870.99 g/mol
Exact Mass870.34
IUPAC Name5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.O=C(O)C(C=Cc1ccccc1)=C(C=Cc1ccccc1)C(C=Cc1ccccc1)=C(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C43H34O2.4C3H4O2/c44-43(45)42(33-29-37-22-12-4-13-23-37)41(32-28-36-20-10-3-11-21-36)40(31-27-35-18-8-2-9-19-35)39(38-24-14-5-15-25-38)30-26-34-16-6-1-7-17-34;4*1-2-3(4)5/h1-33H,(H,44,45);4*2H,1H2,(H,4,5)
InChIKeyVXCVTRHAXKWFIX-UHFFFAOYSA-N
XLogP11.70
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.99
LogP ≤ 511.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-phenyl-2,3,4-tris(2-phenylethenyl)-5-[2-(2-phenylethenyl)phenyl]hepta-2,4,6-trienoic acid;tris(prop-2-enoic acid)
CID 173127822
1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
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CID 70019468
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CID 172826551
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
prop-2-enoic acid;styrene
CID 160851252
CID 131855579
CID 131855579
azane;3-phenylprop-2-enoic acid
CID 66894546
(E)-3-phenylprop-2-enamide;prop-2-enamide
CID 66955302
2-phenylprop-2-enoic acid;prop-2-enoic acid
CID 70022748

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid)?
The IUPAC name of 5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid) (CID 173127720) is 5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid).
What is the SMILES notation for 5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid)?
The canonical SMILES for 5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.O=C(O)C(C=Cc1ccccc1)=C(C=Cc1ccccc1)C(C=Cc1ccccc1)=C(C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid)?
The InChIKey is VXCVTRHAXKWFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34O2.4C3H4O2/c44-43(45)42(33-29-37-22-12-4-13-23-37)41(32-28-36-20-10-3-11-21-36)40(31-27-35-18-8-2-9-19-35)39(38-24-14-5-15-25-38)30-26-34-16-6-1-7-17-34;4*1-2-3(4)5/h1-33H,(H,44,45);4*2H,1H2,(H,4,5).
What are the key properties of 5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid)?
5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid) has a molecular weight of 870.99 g/mol, XLogP of 11.70, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-2,3,4-tris(2-phenylethenyl)hepta-2,4,6-trienoic acid;tetrakis(prop-2-enoic acid) is sourced from PubChem (CID 173127720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).