cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron

C38H36FeP2-6 — CID 87186633

IUPACcyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron
SMILESCc1ccccc1P(c1ccccc1C)[c-]1[cH-][cH-][cH-][cH-]1.Cc1ccccc1P(c1ccccc1C)[c-]1cccc1.[Fe]
InChIInChI=1S/2C19H18P.Fe/c2*1-15-9-3-7-13-18(15)20(17-11-5-6-12-17)19-14-8-4-10-16(19)2;/h2*3-14H,1-2H3;/q-5;-1;
InChIKeyNVZLTHRHFVBHBQ-UHFFFAOYSA-N
MW610.50 g/mol
LogP7.56
Rot. Bonds6

About cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron

cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron (PubChem CID 87186633) has the molecular formula C38H36FeP2-6 and a molecular weight of 610.50 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron
PubChem CID87186633
Molecular FormulaC38H36FeP2-6
Molecular Weight610.50 g/mol
Exact Mass610.17
IUPAC Namecyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron
SMILESCc1ccccc1P(c1ccccc1C)[c-]1[cH-][cH-][cH-][cH-]1.Cc1ccccc1P(c1ccccc1C)[c-]1cccc1.[Fe]
InChIInChI=1S/2C19H18P.Fe/c2*1-15-9-3-7-13-18(15)20(17-11-5-6-12-17)19-14-8-4-10-16(19)2;/h2*3-14H,1-2H3;/q-5;-1;
InChIKeyNVZLTHRHFVBHBQ-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.50
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron?
The IUPAC name of cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron (CID 87186633) is cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron is Cc1ccccc1P(c1ccccc1C)[c-]1[cH-][cH-][cH-][cH-]1.Cc1ccccc1P(c1ccccc1C)[c-]1cccc1.[Fe].
What is the InChIKey of cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron?
The InChIKey is NVZLTHRHFVBHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H18P.Fe/c2*1-15-9-3-7-13-18(15)20(17-11-5-6-12-17)19-14-8-4-10-16(19)2;/h2*3-14H,1-2H3;/q-5;-1;.
What are the key properties of cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron?
cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron has a molecular weight of 610.50 g/mol, XLogP of 7.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron is sourced from PubChem (CID 87186633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).