(1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate

C38H60BF4FeP2Rh- — CID 71310758

IUPAC(1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1c1cc[cH-]c1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1c1cc[cH-]c1.F[B-](F)(F)F.[Fe+2].[Rh]
InChIInChI=1S/2C15H24P.C8H12.BF4.Fe.Rh/c2*1-11(2)14-9-10-15(12(3)4)16(14)13-7-5-6-8-13;1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*5-8,11-12,14-15H,9-10H2,1-4H3;1-2,7-8H,3-6H2;;;/q2*-1;;-1;+2;/b;;2-1-,8-7-;;;/t2*14-,15-;;;;/m00..../s1
InChIKeyMFSWTFGIDMKBOY-GXBDDWAESA-N
MW824.40 g/mol
LogP12.68
Rot. Bonds6

About (1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate

(1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate (PubChem CID 71310758) has the molecular formula C38H60BF4FeP2Rh- and a molecular weight of 824.40 g/mol. Its IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate.

Molecular Properties

Compound Name(1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate
PubChem CID71310758
Molecular FormulaC38H60BF4FeP2Rh-
Molecular Weight824.40 g/mol
Exact Mass824.26
IUPAC Name(1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1c1cc[cH-]c1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1c1cc[cH-]c1.F[B-](F)(F)F.[Fe+2].[Rh]
InChIInChI=1S/2C15H24P.C8H12.BF4.Fe.Rh/c2*1-11(2)14-9-10-15(12(3)4)16(14)13-7-5-6-8-13;1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*5-8,11-12,14-15H,9-10H2,1-4H3;1-2,7-8H,3-6H2;;;/q2*-1;;-1;+2;/b;;2-1-,8-7-;;;/t2*14-,15-;;;;/m00..../s1
InChIKeyMFSWTFGIDMKBOY-GXBDDWAESA-N
XLogP12.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.40
LogP ≤ 512.68
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate?
The IUPAC name of (1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate (CID 71310758) is (1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate.
What is the SMILES notation for (1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate?
The canonical SMILES for (1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate is C1=C\CC/C=C\CC/1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1c1cc[cH-]c1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1c1cc[cH-]c1.F[B-](F)(F)F.[Fe+2].[Rh].
What is the InChIKey of (1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate?
The InChIKey is MFSWTFGIDMKBOY-GXBDDWAESA-N. The full InChI is InChI=1S/2C15H24P.C8H12.BF4.Fe.Rh/c2*1-11(2)14-9-10-15(12(3)4)16(14)13-7-5-6-8-13;1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*5-8,11-12,14-15H,9-10H2,1-4H3;1-2,7-8H,3-6H2;;;/q2*-1;;-1;+2;/b;;2-1-,8-7-;;;/t2*14-,15-;;;;/m00..../s1.
What are the key properties of (1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate?
(1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate has a molecular weight of 824.40 g/mol, XLogP of 12.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-cycloocta-1,5-diene;bis((2S,5S)-1-cyclopenta-1,4-dien-1-yl-2,5-di(propan-2-yl)phospholane);iron(2+);rhodium;tetrafluoroborate is sourced from PubChem (CID 71310758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).