1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane

C66H65P — CID 143743025

IUPAC1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane
SMILESC=C/C(=C\C=C/C)c1ccccc1.C=C/C=C(\C=C/C)c1ccc(CC)cc1.Cc1ccc(-c2ccc(Pc3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21P.C15H18.C13H12.C13H14/c1-19-7-9-21(10-8-19)23-13-17-25(18-14-23)26-24-15-11-22(12-16-24)20-5-3-2-4-6-20;1-4-7-14(8-5-2)15-11-9-13(6-3)10-12-15;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-5-9-12(4-2)13-10-7-6-8-11-13/h2-18,26H,1H3;4-5,7-12H,1,6H2,2-3H3;2-10H,1H3;3-11H,2H2,1H3/b;8-5-,14-7+;;5-3-,12-9+
InChIKeyULYOHZUAEGTMBN-HORZMMAFSA-N
MW889.22 g/mol
LogP17.85
Rot. Bonds12

About 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane

1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane (PubChem CID 143743025) has the molecular formula C66H65P and a molecular weight of 889.22 g/mol. Its IUPAC name is 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane.

Molecular Properties

Compound Name1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane
PubChem CID143743025
Molecular FormulaC66H65P
Molecular Weight889.22 g/mol
Exact Mass888.48
IUPAC Name1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane
SMILESC=C/C(=C\C=C/C)c1ccccc1.C=C/C=C(\C=C/C)c1ccc(CC)cc1.Cc1ccc(-c2ccc(Pc3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21P.C15H18.C13H12.C13H14/c1-19-7-9-21(10-8-19)23-13-17-25(18-14-23)26-24-15-11-22(12-16-24)20-5-3-2-4-6-20;1-4-7-14(8-5-2)15-11-9-13(6-3)10-12-15;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-5-9-12(4-2)13-10-7-6-8-11-13/h2-18,26H,1H3;4-5,7-12H,1,6H2,2-3H3;2-10H,1H3;3-11H,2H2,1H3/b;8-5-,14-7+;;5-3-,12-9+
InChIKeyULYOHZUAEGTMBN-HORZMMAFSA-N
XLogP17.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.22
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane with MolForge

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Related Compounds

butane;1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylbenzene;1-methyl-4-phenylbenzene
CID 143258113
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
CID 142053995
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142152757
ethane;[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;toluene
CID 142469927
N'-benzyl-4-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-methylidenebenzenecarboximidamide
CID 142515914
1-ethyl-3-[(3E,5E)-hepta-1,3,5-trien-4-yl]benzene
CID 145212494
1-ethyl-4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]benzene
CID 142394610
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 144938700
[(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane
CID 145229203
3-hepta-1,3,5-trien-4-yl-N,N-bis(4-phenylphenyl)aniline
CID 123189179
(1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine
CID 118425061

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane?
The IUPAC name of 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane (CID 143743025) is 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane.
What is the SMILES notation for 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane?
The canonical SMILES for 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane is C=C/C(=C\C=C/C)c1ccccc1.C=C/C=C(\C=C/C)c1ccc(CC)cc1.Cc1ccc(-c2ccc(Pc3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane?
The InChIKey is ULYOHZUAEGTMBN-HORZMMAFSA-N. The full InChI is InChI=1S/C25H21P.C15H18.C13H12.C13H14/c1-19-7-9-21(10-8-19)23-13-17-25(18-14-23)26-24-15-11-22(12-16-24)20-5-3-2-4-6-20;1-4-7-14(8-5-2)15-11-9-13(6-3)10-12-15;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-5-9-12(4-2)13-10-7-6-8-11-13/h2-18,26H,1H3;4-5,7-12H,1,6H2,2-3H3;2-10H,1H3;3-11H,2H2,1H3/b;8-5-,14-7+;;5-3-,12-9+.
What are the key properties of 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane?
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane has a molecular weight of 889.22 g/mol, XLogP of 17.85, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane is sourced from PubChem (CID 143743025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).