(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine

C31H29NP2 — CID 87789367

IUPAC(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESC[C@@H](NP(c1ccccc1)c1ccccc1)C1C=CC=C1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NP2/c1-25(32-34(28-19-10-4-11-20-28)29-21-12-5-13-22-29)30-23-14-24-31(30)33(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h2-25,30,32H,1H3/t25-,30?/m1/s1
InChIKeyHTEROAGTFATZTL-GOWJNXQMSA-N
MW477.53 g/mol
LogP6.22
Rot. Bonds8

About (1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine

(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine (PubChem CID 87789367) has the molecular formula C31H29NP2 and a molecular weight of 477.53 g/mol. Its IUPAC name is (1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine
PubChem CID87789367
Molecular FormulaC31H29NP2
Molecular Weight477.53 g/mol
Exact Mass477.18
IUPAC Name(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine
SMILESC[C@@H](NP(c1ccccc1)c1ccccc1)C1C=CC=C1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NP2/c1-25(32-34(28-19-10-4-11-20-28)29-21-12-5-13-22-29)30-23-14-24-31(30)33(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h2-25,30,32H,1H3/t25-,30?/m1/s1
InChIKeyHTEROAGTFATZTL-GOWJNXQMSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine
CID 87708719
dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 15302428
1-[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-3-[(1R)-1-[(1S)-2-diphenylphosphanylcyclopenta-2,4-dien-1-yl]ethyl]thiourea
CID 118687818
(1R)-N-bis(3,4-difluorophenyl)phosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-methylethanamine
CID 87794428
(5-fluorocyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 176541891
2-diphenylphosphanyl-N-[(1R)-1-phenylethyl]cyclopenta-2,4-diene-1-carboxamide
CID 101436749
chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride
CID 175534500
(5-tert-butylsulfanylcyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 102357317
[(1R)-5-cyclopenta-2,4-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane
CID 102041384
[(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-ditert-butylphosphane
CID 175963525
[(1R)-5-cyclopenta-1,3-dien-1-yl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)pentyl]-diphenylphosphane
CID 138962112
(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane
CID 16691563

Frequently Asked Questions

What is the IUPAC name of (1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine?
The IUPAC name of (1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine (CID 87789367) is (1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for (1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine?
The canonical SMILES for (1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine is C[C@@H](NP(c1ccccc1)c1ccccc1)C1C=CC=C1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine?
The InChIKey is HTEROAGTFATZTL-GOWJNXQMSA-N. The full InChI is InChI=1S/C31H29NP2/c1-25(32-34(28-19-10-4-11-20-28)29-21-12-5-13-22-29)30-23-14-24-31(30)33(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h2-25,30,32H,1H3/t25-,30?/m1/s1.
What are the key properties of (1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine?
(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine has a molecular weight of 477.53 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 87789367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).