[(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium

C30H29NP+ — CID 101071939

IUPAC[(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium
SMILESCC/C=C/C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C30H29NP/c1-2-3-16-27(31-26-17-8-4-9-18-26)25-32(28-19-10-5-11-20-28,29-21-12-6-13-22-29)30-23-14-7-15-24-30/h3-25,31H,2H2,1H3/q+1/b16-3+,27-25-
InChIKeyRVPGTPZHOQXZMB-JTJRFGRGSA-N
MW434.54 g/mol
LogP6.90
Rot. Bonds8

About [(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium

[(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium (PubChem CID 101071939) has the molecular formula C30H29NP+ and a molecular weight of 434.54 g/mol. Its IUPAC name is [(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium
PubChem CID101071939
Molecular FormulaC30H29NP+
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name[(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium
SMILESCC/C=C/C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C30H29NP/c1-2-3-16-27(31-26-17-8-4-9-18-26)25-32(28-19-10-5-11-20-28,29-21-12-6-13-22-29)30-23-14-7-15-24-30/h3-25,31H,2H2,1H3/q+1/b16-3+,27-25-
InChIKeyRVPGTPZHOQXZMB-JTJRFGRGSA-N
XLogP6.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline
CID 142358988
2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide
CID 86040735
4-dibenzothiophen-2-yl-N-[(2E,4Z)-hepta-2,4-dien-3-yl]aniline
CID 166879246
N-[(3E,5Z)-2,7-dimethylnona-1,3,5-trien-4-yl]aniline
CID 145266659
[(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium
CID 101092740
ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine
CID 142957611
[(Z)-2-hydroxy-3-methylhex-1-enyl]-triphenylphosphanium
CID 177488102
(3-anilino-2-benzamido-3-oxoprop-1-enyl)-triphenylphosphanium
CID 4165172
1-(methylamino)-3-phenylthiourea
CID 13456646
(E)-1,1-diphenylhex-3-en-2-one
CID 67801120
N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline
CID 143963360
2-benzyl-N-phenylbutanethioamide
CID 72751245

Frequently Asked Questions

What is the IUPAC name of [(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium?
The IUPAC name of [(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium (CID 101071939) is [(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium.
What is the SMILES notation for [(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium?
The canonical SMILES for [(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium is CC/C=C/C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1.
What is the InChIKey of [(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium?
The InChIKey is RVPGTPZHOQXZMB-JTJRFGRGSA-N. The full InChI is InChI=1S/C30H29NP/c1-2-3-16-27(31-26-17-8-4-9-18-26)25-32(28-19-10-5-11-20-28,29-21-12-6-13-22-29)30-23-14-7-15-24-30/h3-25,31H,2H2,1H3/q+1/b16-3+,27-25-.
What are the key properties of [(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium?
[(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium has a molecular weight of 434.54 g/mol, XLogP of 6.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium is sourced from PubChem (CID 101071939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).