cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)

C43H63FeNP2 — CID 71310469

IUPACcyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)
SMILESCN(C)[C@H](c1ccccc1P(C1CCCCC1)C1CCCCC1)c1cc[cH-]c1P(C1CCCCC1)C1CCCCC1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C38H58NP2.C5H5.Fe/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;1-2-4-5-3-1;/h15-17,26-33,38H,3-14,18-25H2,1-2H3;1-5H;/q2*-1;+2/t38-;;/m1../s1
InChIKeyZCLAIXUMNAWCKI-VROLVAQFSA-N
MW711.78 g/mol
LogP12.00
Rot. Bonds9

About cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)

cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+) (PubChem CID 71310469) has the molecular formula C43H63FeNP2 and a molecular weight of 711.78 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)
PubChem CID71310469
Molecular FormulaC43H63FeNP2
Molecular Weight711.78 g/mol
Exact Mass711.38
IUPAC Namecyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)
SMILESCN(C)[C@H](c1ccccc1P(C1CCCCC1)C1CCCCC1)c1cc[cH-]c1P(C1CCCCC1)C1CCCCC1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C38H58NP2.C5H5.Fe/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;1-2-4-5-3-1;/h15-17,26-33,38H,3-14,18-25H2,1-2H3;1-5H;/q2*-1;+2/t38-;;/m1../s1
InChIKeyZCLAIXUMNAWCKI-VROLVAQFSA-N
XLogP12.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.78
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+) 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

(+)-N-Benzyl-(3R,4R)-bis(diphenylphosphino)pyrrolidine
CID 10985824
(R)-(+)-N,N-Bis(2-diphenylphosphinoethyl)-1-phenylethylamine
CID 10887135
(S)-(-)-N,N-Bis(2-diphenylphosphinoethyl)-1-phenylethylamine
CID 12743567
(R,R)-(+)-2,2'-Bis((S)-(N,N-dimethylamino)(phenyl)methyl)-1,1'-bis(di(2-methylphenyl)phosphino)ferrocene
CID 146159866
CID 134900205
CID 134900205
(r)-1-[2-(diphenylphosphanyl)ferrocenyl]-N,N-dimethylethanamine
CID 135391804
(3S,4S)-1-Benzyl-3,4-bis(diphenylphosphanyl)pyrrolidine
CID 10907542
(S)-N,N-dimethyl-1-(2-(diphenylphosphino)phenyl)ethanamine
CID 12090880
(R,Rp)-Taniaphos
CID 50898064
cyclopenta-1,3-diene;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)
CID 71310352
cyclopenta-1,3-diene;1-(2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)
CID 75575836
1-(2-diphenylphosphanylcyclopentyl)-1-(2-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
CID 76689547

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+) (CID 71310469) is cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+) is CN(C)[C@H](c1ccccc1P(C1CCCCC1)C1CCCCC1)c1cc[cH-]c1P(C1CCCCC1)C1CCCCC1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)?
The InChIKey is ZCLAIXUMNAWCKI-VROLVAQFSA-N. The full InChI is InChI=1S/C38H58NP2.C5H5.Fe/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;1-2-4-5-3-1;/h15-17,26-33,38H,3-14,18-25H2,1-2H3;1-5H;/q2*-1;+2/t38-;;/m1../s1.
What are the key properties of cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)?
cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+) has a molecular weight of 711.78 g/mol, XLogP of 12.00, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+) is sourced from PubChem (CID 71310469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).