2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline

C29H32N2P2 — CID 15912093

IUPAC2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline
SMILESNc1ccccc1P(CCCCCP(c1ccccc1)c1ccccc1N)c1ccccc1
InChIInChI=1S/C29H32N2P2/c30-26-18-8-10-20-28(26)32(24-14-4-1-5-15-24)22-12-3-13-23-33(25-16-6-2-7-17-25)29-21-11-9-19-27(29)31/h1-2,4-11,14-21H,3,12-13,22-23,30-31H2
InChIKeyWDDHGPVTYDKQAJ-UHFFFAOYSA-N
MW470.54 g/mol
LogP5.59
Rot. Bonds10

About 2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline

2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline (PubChem CID 15912093) has the molecular formula C29H32N2P2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline.

Molecular Properties

Compound Name2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline
PubChem CID15912093
Molecular FormulaC29H32N2P2
Molecular Weight470.54 g/mol
Exact Mass470.20
IUPAC Name2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline
SMILESNc1ccccc1P(CCCCCP(c1ccccc1)c1ccccc1N)c1ccccc1
InChIInChI=1S/C29H32N2P2/c30-26-18-8-10-20-28(26)32(24-14-4-1-5-15-24)22-12-3-13-23-33(25-16-6-2-7-17-25)29-21-11-9-19-27(29)31/h1-2,4-11,14-21H,3,12-13,22-23,30-31H2
InChIKeyWDDHGPVTYDKQAJ-UHFFFAOYSA-N
XLogP5.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
dibromocobalt;6-diphenylphosphanylhexyl(diphenyl)phosphane
CID 11377369
(2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane
CID 18962661
2-diphenylphosphanylaniline;ethane
CID 177151312
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
CID 10996904
3-diphenylphosphanylpropyl(diphenyl)phosphane;heptane;platinum(2+)
CID 134888828
bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride
CID 170997457
8-diphenylphosphanyloctanoic acid
CID 20679688
10-diphenylphosphanyldecanoic acid
CID 71402645
bis(10-diphenylphosphanyldecoxy)-phenylphosphane
CID 12054176
disodium;6-diphenylphosphanylhexyl(trioxido)phosphanium
CID 101086427

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline?
The IUPAC name of 2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline (CID 15912093) is 2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline.
What is the SMILES notation for 2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline?
The canonical SMILES for 2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline is Nc1ccccc1P(CCCCCP(c1ccccc1)c1ccccc1N)c1ccccc1.
What is the InChIKey of 2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline?
The InChIKey is WDDHGPVTYDKQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2P2/c30-26-18-8-10-20-28(26)32(24-14-4-1-5-15-24)22-12-3-13-23-33(25-16-6-2-7-17-25)29-21-11-9-19-27(29)31/h1-2,4-11,14-21H,3,12-13,22-23,30-31H2.
What are the key properties of 2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline?
2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline has a molecular weight of 470.54 g/mol, XLogP of 5.59, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-aminophenyl)-phenylphosphanyl]pentyl-phenylphosphanyl]aniline is sourced from PubChem (CID 15912093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).