(2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine

C35H33N2P — CID 98159704

IUPAC(2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine
SMILESCC([C@@H](C)NN=C(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H33N2P/c1-28(36-37-35(30-18-8-3-9-19-30)31-20-10-4-11-21-31)29(2)38(32-22-12-5-13-23-32,33-24-14-6-15-25-33)34-26-16-7-17-27-34/h3-28,36H,1-2H3/t28-/m1/s1
InChIKeyNNYPRCOPFARHNB-MUUNZHRXSA-N
MW512.64 g/mol
LogP6.60
Rot. Bonds8

About (2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine

(2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine (PubChem CID 98159704) has the molecular formula C35H33N2P and a molecular weight of 512.64 g/mol. Its IUPAC name is (2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine.

Molecular Properties

Compound Name(2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine
PubChem CID98159704
Molecular FormulaC35H33N2P
Molecular Weight512.64 g/mol
Exact Mass512.24
IUPAC Name(2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine
SMILESCC([C@@H](C)NN=C(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H33N2P/c1-28(36-37-35(30-18-8-3-9-19-30)31-20-10-4-11-21-31)29(2)38(32-22-12-5-13-23-32,33-24-14-6-15-25-33)34-26-16-7-17-27-34/h3-28,36H,1-2H3/t28-/m1/s1
InChIKeyNNYPRCOPFARHNB-MUUNZHRXSA-N
XLogP6.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.64
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine 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

1-(benzhydrylideneamino)-3-(4-propan-2-ylphenyl)thiourea
CID 4236190
(2R)-N-(benzhydrylideneamino)-2-chloropropanamide
CID 1488884
N-(benzhydrylideneamino)-2-pyrrolidin-1-ylpropanamide
CID 3641131
N-(benzhydrylideneamino)methanesulfonamide
CID 22613527
N'-(benzhydrylideneamino)ethanimidamide
CID 11128320
1-phenyl-1-(triphenyl-λ5-phosphanylidene)butane-2,3-dione
CID 134924093
N-[[(4-methylphenyl)-phenylmethylidene]amino]aniline
CID 78146288
1-(benzhydrylideneamino)ethylidenechromium
CID 11463699
2-(triphenyl-λ5-phosphanylidene)propanoic acid
CID 13030225
2-amino-1-phenylpropane-1-thione
CID 175332541
cobalt;bis(methyl N-(benzhydrylideneamino)carbamodithioate)
CID 50910839
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine?
The IUPAC name of (2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine (CID 98159704) is (2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine.
What is the SMILES notation for (2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine?
The canonical SMILES for (2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine is CC([C@@H](C)NN=C(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine?
The InChIKey is NNYPRCOPFARHNB-MUUNZHRXSA-N. The full InChI is InChI=1S/C35H33N2P/c1-28(36-37-35(30-18-8-3-9-19-30)31-20-10-4-11-21-31)29(2)38(32-22-12-5-13-23-32,33-24-14-6-15-25-33)34-26-16-7-17-27-34/h3-28,36H,1-2H3/t28-/m1/s1.
What are the key properties of (2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine?
(2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine has a molecular weight of 512.64 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(benzhydrylideneamino)-3-(triphenyl-λ5-phosphanylidene)butan-2-amine is sourced from PubChem (CID 98159704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).