1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine

C38H39NP2 — CID 76689547

IUPAC1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1ccccc1P(c1ccccc1)c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H39NP2/c1-39(2)38(35-27-17-29-37(35)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)34-26-15-16-28-36(34)40(30-18-7-3-8-19-30)31-20-9-4-10-21-31/h3-16,18-26,28,35,37-38H,17,27,29H2,1-2H3
InChIKeyNUVSXUWSDGIMHI-UHFFFAOYSA-N
MW571.69 g/mol
LogP7.35
Rot. Bonds9

About 1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine

1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine (PubChem CID 76689547) has the molecular formula C38H39NP2 and a molecular weight of 571.69 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
PubChem CID76689547
Molecular FormulaC38H39NP2
Molecular Weight571.69 g/mol
Exact Mass571.26
IUPAC Name1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1ccccc1P(c1ccccc1)c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H39NP2/c1-39(2)38(35-27-17-29-37(35)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)34-26-15-16-28-36(34)40(30-18-7-3-8-19-30)31-20-9-4-10-21-31/h3-16,18-26,28,35,37-38H,17,27,29H2,1-2H3
InChIKeyNUVSXUWSDGIMHI-UHFFFAOYSA-N
XLogP7.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.69
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine (CID 76689547) is 1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine is CN(C)C(c1ccccc1P(c1ccccc1)c1ccccc1)C1CCCC1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
The InChIKey is NUVSXUWSDGIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39NP2/c1-39(2)38(35-27-17-29-37(35)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)34-26-15-16-28-36(34)40(30-18-7-3-8-19-30)31-20-9-4-10-21-31/h3-16,18-26,28,35,37-38H,17,27,29H2,1-2H3.
What are the key properties of 1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine?
1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine has a molecular weight of 571.69 g/mol, XLogP of 7.35, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 76689547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).