N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine

C34H31NOP2 — CID 118968554

IUPACN-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
SMILESCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C34H31NOP2/c1-2-3-26-35(37(27-16-7-4-8-17-27)28-18-9-5-10-19-28)38(29-20-11-6-12-21-29)33-25-15-23-31-30-22-13-14-24-32(30)36-34(31)33/h4-25H,2-3,26H2,1H3
InChIKeyAXHOWAZDBKGDAE-UHFFFAOYSA-N
MW531.58 g/mol
LogP8.08
Rot. Bonds9

About N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine

N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine (PubChem CID 118968554) has the molecular formula C34H31NOP2 and a molecular weight of 531.58 g/mol. Its IUPAC name is N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine.

Molecular Properties

Compound NameN-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
PubChem CID118968554
Molecular FormulaC34H31NOP2
Molecular Weight531.58 g/mol
Exact Mass531.19
IUPAC NameN-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
SMILESCCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C34H31NOP2/c1-2-3-26-35(37(27-16-7-4-8-17-27)28-18-9-5-10-19-28)38(29-20-11-6-12-21-29)33-25-15-23-31-30-22-13-14-24-32(30)36-34(31)33/h4-25H,2-3,26H2,1H3
InChIKeyAXHOWAZDBKGDAE-UHFFFAOYSA-N
XLogP8.08
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.58
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(diphenylphosphanyl)hexan-1-amine
CID 88592099
tributyl(dibenzofuran-4-yl)stannane
CID 10906594
N,N-bis(diphenylphosphanyl)-2-hexylsulfanylethanamine
CID 102588137
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
N-ethyl-N-phenylnaphtho[1,2-b][1]benzofuran-4-amine
CID 126701340
4-[(2S)-butan-2-yl]dibenzofuran
CID 142504734
dibenzofuran-4-yl-[2,7-ditert-butyl-5-[dibenzofuran-4-yl(phenyl)phosphanyl]-9,9-dimethylxanthen-4-yl]-phenylphosphane
CID 175712371
N-butyl-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 55346583
4-(4-propylphenyl)dibenzofuran
CID 156827246
dibenzofuran-4-yl(trimethyl)silane
CID 10752569
4-but-1-enyldibenzofuran
CID 154131929
dibenzofuran;ethanol
CID 174821059

Frequently Asked Questions

What is the IUPAC name of N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine?
The IUPAC name of N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine (CID 118968554) is N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine.
What is the SMILES notation for N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine?
The canonical SMILES for N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine is CCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine?
The InChIKey is AXHOWAZDBKGDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31NOP2/c1-2-3-26-35(37(27-16-7-4-8-17-27)28-18-9-5-10-19-28)38(29-20-11-6-12-21-29)33-25-15-23-31-30-22-13-14-24-32(30)36-34(31)33/h4-25H,2-3,26H2,1H3.
What are the key properties of N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine?
N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine has a molecular weight of 531.58 g/mol, XLogP of 8.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine is sourced from PubChem (CID 118968554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).