[(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium

C33H37NP+ — CID 87626126

IUPAC[(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium
SMILESC/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C33H37NP/c1-25(2)31-22-15-23-32(26(3)4)33(31)34-27(5)24-35(28-16-9-6-10-17-28,29-18-11-7-12-19-29)30-20-13-8-14-21-30/h6-26,34H,1-5H3/q+1/b27-24+
InChIKeyBHNHQHNHYQEJFQ-SOYKGTTHSA-N
MW478.64 g/mol
LogP8.20
Rot. Bonds8

About [(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium

[(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium (PubChem CID 87626126) has the molecular formula C33H37NP+ and a molecular weight of 478.64 g/mol. Its IUPAC name is [(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium
PubChem CID87626126
Molecular FormulaC33H37NP+
Molecular Weight478.64 g/mol
Exact Mass478.27
IUPAC Name[(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium
SMILESC/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C33H37NP/c1-25(2)31-22-15-23-32(26(3)4)33(31)34-27(5)24-35(28-16-9-6-10-17-28,29-18-11-7-12-19-29)30-20-13-8-14-21-30/h6-26,34H,1-5H3/q+1/b27-24+
InChIKeyBHNHQHNHYQEJFQ-SOYKGTTHSA-N
XLogP8.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine
CID 12981045
N-[1-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphanyl]prop-1-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 5242446
N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 67447227
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 102155026
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
[(E)-3-[2,6-di(propan-2-yl)anilino]-1-phenylbut-2-enylidene]-[2,6-di(propan-2-yl)phenyl]azanium hexafluorophosphate
CID 139074004
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
benzene;(Z)-3-[2,6-di(propan-2-yl)anilino]-1-phenylbut-2-en-1-one;nickel;triphenylphosphane
CID 11422682
N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 86234862
N-[(E)-4-[(1S,2S)-2-[[(E)-4-[2,6-di(propan-2-yl)anilino]pent-3-en-2-ylidene]amino]cyclohexyl]iminopent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 177499645

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium?
The IUPAC name of [(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium (CID 87626126) is [(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium.
What is the SMILES notation for [(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium?
The canonical SMILES for [(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium is C/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of [(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium?
The InChIKey is BHNHQHNHYQEJFQ-SOYKGTTHSA-N. The full InChI is InChI=1S/C33H37NP/c1-25(2)31-22-15-23-32(26(3)4)33(31)34-27(5)24-35(28-16-9-6-10-17-28,29-18-11-7-12-19-29)30-20-13-8-14-21-30/h6-26,34H,1-5H3/q+1/b27-24+.
What are the key properties of [(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium?
[(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium has a molecular weight of 478.64 g/mol, XLogP of 8.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium is sourced from PubChem (CID 87626126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).