N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine

C30H33NOP2 — CID 123927813

IUPACN-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine
SMILESC#CC=C(OC)C(=CC)P(c1ccccc1)N(CCCC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NOP2/c1-5-8-25-31(33(26-19-12-9-13-20-26)27-21-14-10-15-22-27)34(28-23-16-11-17-24-28)30(7-3)29(32-4)18-6-2/h2,7,9-24H,5,8,25H2,1,3-4H3
InChIKeyPUIOSQJJMDKBIY-UHFFFAOYSA-N
MW485.55 g/mol
LogP6.93
Rot. Bonds11

About N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine

N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine (PubChem CID 123927813) has the molecular formula C30H33NOP2 and a molecular weight of 485.55 g/mol. Its IUPAC name is N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine.

Molecular Properties

Compound NameN-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine
PubChem CID123927813
Molecular FormulaC30H33NOP2
Molecular Weight485.55 g/mol
Exact Mass485.20
IUPAC NameN-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine
SMILESC#CC=C(OC)C(=CC)P(c1ccccc1)N(CCCC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NOP2/c1-5-8-25-31(33(26-19-12-9-13-20-26)27-21-14-10-15-22-27)34(28-23-16-11-17-24-28)30(7-3)29(32-4)18-6-2/h2,7,9-24H,5,8,25H2,1,3-4H3
InChIKeyPUIOSQJJMDKBIY-UHFFFAOYSA-N
XLogP6.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine with MolForge

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Related Compounds

N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
CID 118967803
N,N-bis(diphenylphosphanyl)hexan-1-amine
CID 88592099
N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
CID 118968554
N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine
CID 15397513
N,N-bis(diphenylphosphanyl)-2-hexylsulfanylethanamine
CID 102588137
butoxy-ethoxy-phenylphosphane;ethane
CID 142525942
N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine
CID 64585765
N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine
CID 163974789
ethoxy-hexoxy-phenylphosphane
CID 154163043
heptoxy(phenyl)phosphinous acid
CID 12959801
(1S,3R)-N-butyl-N-diphenylphosphanyl-1,3-diethyl-1,3-dihydroisophosphindol-2-amine
CID 134344233
N-butyl-N-[phenyl(pyrrolidin-1-yl)phosphanyl]butan-1-amine
CID 134885744

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine?
The IUPAC name of N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine (CID 123927813) is N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine.
What is the SMILES notation for N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine?
The canonical SMILES for N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine is C#CC=C(OC)C(=CC)P(c1ccccc1)N(CCCC)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine?
The InChIKey is PUIOSQJJMDKBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NOP2/c1-5-8-25-31(33(26-19-12-9-13-20-26)27-21-14-10-15-22-27)34(28-23-16-11-17-24-28)30(7-3)29(32-4)18-6-2/h2,7,9-24H,5,8,25H2,1,3-4H3.
What are the key properties of N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine?
N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine has a molecular weight of 485.55 g/mol, XLogP of 6.93, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine is sourced from PubChem (CID 123927813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).