N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine

C29H34N2P2 — CID 163974789

IUPACN'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN(P(C1=CCCC=C1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34N2P2/c1-30(2)24-15-25-31(32(26-16-7-3-8-17-26)27-18-9-4-10-19-27)33(28-20-11-5-12-21-28)29-22-13-6-14-23-29/h3-5,7-13,16-23H,6,14-15,24-25H2,1-2H3
InChIKeySTDYMUJNTIUUGR-UHFFFAOYSA-N
MW472.55 g/mol
LogP6.24
Rot. Bonds10

About N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine

N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 163974789) has the molecular formula C29H34N2P2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine
PubChem CID163974789
Molecular FormulaC29H34N2P2
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN(P(C1=CCCC=C1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34N2P2/c1-30(2)24-15-25-31(32(26-16-7-3-8-17-26)27-18-9-4-10-19-27)33(28-20-11-5-12-21-28)29-22-13-6-14-23-29/h3-5,7-13,16-23H,6,14-15,24-25H2,1-2H3
InChIKeySTDYMUJNTIUUGR-UHFFFAOYSA-N
XLogP6.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine (CID 163974789) is N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine is CN(C)CCCN(P(C1=CCCC=C1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is STDYMUJNTIUUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2P2/c1-30(2)24-15-25-31(32(26-16-7-3-8-17-26)27-18-9-4-10-19-27)33(28-20-11-5-12-21-28)29-22-13-6-14-23-29/h3-5,7-13,16-23H,6,14-15,24-25H2,1-2H3.
What are the key properties of N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine?
N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 472.55 g/mol, XLogP of 6.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 163974789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).