CID 158145102

C34H28BiFeP2 — CID 158145102

IUPAC—
SMILES[Bi].[Fe+2].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccc[c-]2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H23P2.C5H5.Bi.Fe/c1-5-14-24(15-6-1)30(25-16-7-2-8-17-25)28-22-13-23-29(28)31(26-18-9-3-10-19-26)27-20-11-4-12-21-27;1-2-4-5-3-1;;/h1-23H;1-5H;;/q2*-1;;+2
InChIKeyFUKQDQVRPGZZCR-UHFFFAOYSA-N
MW763.37 g/mol
LogP5.94
Rot. Bonds6

About CID 158145102

CID 158145102 (PubChem CID 158145102) has the molecular formula C34H28BiFeP2 and a molecular weight of 763.37 g/mol.

Molecular Properties

Compound NameCID 158145102
PubChem CID158145102
Molecular FormulaC34H28BiFeP2
Molecular Weight763.37 g/mol
Exact Mass763.08
IUPAC Name—
SMILES[Bi].[Fe+2].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccc[c-]2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H23P2.C5H5.Bi.Fe/c1-5-14-24(15-6-1)30(25-16-7-2-8-17-25)28-22-13-23-29(28)31(26-18-9-3-10-19-26)27-20-11-4-12-21-27;1-2-4-5-3-1;;/h1-23H;1-5H;;/q2*-1;;+2
InChIKeyFUKQDQVRPGZZCR-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.37
LogP ≤ 55.94
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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Related Compounds

cyclopenta-1,3-diene;(2-cyclopentylcyclopenta-2,4-dien-1-yl)-diphenylphosphane;iron(2+)
CID 176895228
cyclopenta-1,3-diene;(1S)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron(2+)
CID 131726978
azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+)
CID 175727216
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+)
CID 153291057
cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron
CID 88769962
cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron
CID 87353736
bis(cyclopenta-1,3-diene);cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron;palladium(2+);dihydrochloride
CID 173494216
cyclopenta-1,3-diene;2-[2-di(furan-1-ium-2-id-2-yl)phosphanyl-3-diphenylphosphanylcyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine;iron(2+)
CID 160983641
carbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane
CID 139264482
silver;tris(triphenylphosphane);iodide
CID 170458282
triphenylphosphane
CID 139056248
cyclohexa-2,4-dien-1-ylidene-(3-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-phenylphosphanium;cyclopenta-1,3-diene;iron(2+);dichloride
CID 175942183

Frequently Asked Questions

What is the IUPAC name of CID 158145102?
The IUPAC name of CID 158145102 (CID 158145102) is not available.
What is the SMILES notation for CID 158145102?
The canonical SMILES for CID 158145102 is [Bi].[Fe+2].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccc[c-]2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 158145102?
The InChIKey is FUKQDQVRPGZZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23P2.C5H5.Bi.Fe/c1-5-14-24(15-6-1)30(25-16-7-2-8-17-25)28-22-13-23-29(28)31(26-18-9-3-10-19-26)27-20-11-4-12-21-27;1-2-4-5-3-1;;/h1-23H;1-5H;;/q2*-1;;+2.
What are the key properties of CID 158145102?
CID 158145102 has a molecular weight of 763.37 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158145102 is sourced from PubChem (CID 158145102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).