[(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane

C19H19P — CID 145229203

IUPAC[(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane
SMILESC=C/C=C(\C=C/C)Pc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19P/c1-3-8-18(9-4-2)20-19-14-12-17(13-15-19)16-10-6-5-7-11-16/h3-15,20H,1H2,2H3/b9-4-,18-8+
InChIKeyWRPJSWXPWPVDQV-ZFHQFQHJSA-N
MW278.34 g/mol
LogP5.30
Rot. Bonds5

About [(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane

[(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane (PubChem CID 145229203) has the molecular formula C19H19P and a molecular weight of 278.34 g/mol. Its IUPAC name is [(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane.

Molecular Properties

Compound Name[(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane
PubChem CID145229203
Molecular FormulaC19H19P
Molecular Weight278.34 g/mol
Exact Mass278.12
IUPAC Name[(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane
SMILESC=C/C=C(\C=C/C)Pc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19P/c1-3-8-18(9-4-2)20-19-14-12-17(13-15-19)16-10-6-5-7-11-16/h3-15,20H,1H2,2H3/b9-4-,18-8+
InChIKeyWRPJSWXPWPVDQV-ZFHQFQHJSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.34
LogP ≤ 55.30
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'}

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Related Compounds

ethane;[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane
CID 163386323
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene
CID 142955169
N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline
CID 144591931
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
5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene
CID 143060546
1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
3-hepta-1,3,5-trien-4-yl-N,N-bis(4-phenylphenyl)aniline
CID 123189179
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-[(3Z)-3-tert-butylhexa-1,3,5-trien-2-yl]-4-phenylbenzene
CID 145141221
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylaniline;(6Z)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-diene
CID 143811434

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane?
The IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane (CID 145229203) is [(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane.
What is the SMILES notation for [(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane?
The canonical SMILES for [(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane is C=C/C=C(\C=C/C)Pc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane?
The InChIKey is WRPJSWXPWPVDQV-ZFHQFQHJSA-N. The full InChI is InChI=1S/C19H19P/c1-3-8-18(9-4-2)20-19-14-12-17(13-15-19)16-10-6-5-7-11-16/h3-15,20H,1H2,2H3/b9-4-,18-8+.
What are the key properties of [(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane?
[(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane has a molecular weight of 278.34 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane is sourced from PubChem (CID 145229203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).