N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline

C35H31N2OP — CID 10768454

IUPACN-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline
SMILESC=C=C(/C=C\C#CCCC/C=N/N(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H31N2OP/c1-2-33(39(38,34-26-16-9-17-27-34)35-28-18-10-19-29-35)25-15-5-3-4-6-20-30-36-37(31-21-11-7-12-22-31)32-23-13-8-14-24-32/h7-19,21-30H,1,4,6,20H2/b25-15-,36-30+
InChIKeyWZIGWLLRJZUFBU-YRDOVQBFSA-N
MW526.62 g/mol
LogP8.22
Rot. Bonds10

About N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline

N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline (PubChem CID 10768454) has the molecular formula C35H31N2OP and a molecular weight of 526.62 g/mol. Its IUPAC name is N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline
PubChem CID10768454
Molecular FormulaC35H31N2OP
Molecular Weight526.62 g/mol
Exact Mass526.22
IUPAC NameN-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline
SMILESC=C=C(/C=C\C#CCCC/C=N/N(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H31N2OP/c1-2-33(39(38,34-26-16-9-17-27-34)35-28-18-10-19-29-35)25-15-5-3-4-6-20-30-36-37(31-21-11-7-12-22-31)32-23-13-8-14-24-32/h7-19,21-30H,1,4,6,20H2/b25-15-,36-30+
InChIKeyWZIGWLLRJZUFBU-YRDOVQBFSA-N
XLogP8.22
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.62
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[methyl(tridec-12-en-1,7-diynyl)phosphoryl]benzene
CID 11088260
N'-[2-[(4E)-4-(diphenylhydrazinylidene)butyl]cyclopentyl]benzohydrazide
CID 15468085
(E)-1-phenyldec-2-en-4-yn-1-one
CID 45112533
N-[(E)-[(9E)-5-bromo-9-methoxyiminononylidene]amino]-N-phenylaniline
CID 10622521
3-(1-diphenylphosphorylpropa-1,2-dienyl)thiophene
CID 168865599
1,6-bis(diphenylphosphoryl)hexane-1,6-dione
CID 58792595
(2-bromo-2-phenylethyl) (2E)-2-(diphenylhydrazinylidene)acetate
CID 10740944
[(12-diphenylphosphoryl-5,8-dimethylidenedodec-6-ynyl)-phenylphosphoryl]benzene
CID 102002556
N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide
CID 10629560
tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate
CID 20978317
N-[(Z)-2,2-diphenylethylideneamino]-N-phenylaniline
CID 6306927
(E)-N-diphenylphosphorylheptan-1-imine
CID 134884295

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline?
The IUPAC name of N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline (CID 10768454) is N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline.
What is the SMILES notation for N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline?
The canonical SMILES for N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline is C=C=C(/C=C\C#CCCC/C=N/N(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline?
The InChIKey is WZIGWLLRJZUFBU-YRDOVQBFSA-N. The full InChI is InChI=1S/C35H31N2OP/c1-2-33(39(38,34-26-16-9-17-27-34)35-28-18-10-19-29-35)25-15-5-3-4-6-20-30-36-37(31-21-11-7-12-22-31)32-23-13-8-14-24-32/h7-19,21-30H,1,4,6,20H2/b25-15-,36-30+.
What are the key properties of N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline?
N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline has a molecular weight of 526.62 g/mol, XLogP of 8.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(7Z)-9-diphenylphosphorylundeca-7,9,10-trien-5-ynylidene]amino]-N-phenylaniline is sourced from PubChem (CID 10768454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).