CID 72945837

C50H36FeP2+2 — CID 72945837

IUPAC—
SMILES[CH]1[CH][CH][C](P(c2cccc3ccccc23)c2cccc3ccccc23)[CH]1.[CH]1[CH][CH][C](P(c2cccc3ccccc23)c2cccc3ccccc23)[CH]1.[Fe+2]
InChIInChI=1S/2C25H18P.Fe/c2*1-5-15-22-19(9-1)11-7-17-24(22)26(21-13-3-4-14-21)25-18-8-12-20-10-2-6-16-23(20)25;/h2*1-18H;/q;;+2
InChIKeyLNLSYWCDHOGMPD-UHFFFAOYSA-N
MW754.63 g/mol
LogP11.57
Rot. Bonds6

About CID 72945837

CID 72945837 (PubChem CID 72945837) has the molecular formula C50H36FeP2+2 and a molecular weight of 754.63 g/mol.

Molecular Properties

Compound NameCID 72945837
PubChem CID72945837
Molecular FormulaC50H36FeP2+2
Molecular Weight754.63 g/mol
Exact Mass754.16
IUPAC Name—
SMILES[CH]1[CH][CH][C](P(c2cccc3ccccc23)c2cccc3ccccc23)[CH]1.[CH]1[CH][CH][C](P(c2cccc3ccccc23)c2cccc3ccccc23)[CH]1.[Fe+2]
InChIInChI=1S/2C25H18P.Fe/c2*1-5-15-22-19(9-1)11-7-17-24(22)26(21-13-3-4-14-21)25-18-8-12-20-10-2-6-16-23(20)25;/h2*1-18H;/q;;+2
InChIKeyLNLSYWCDHOGMPD-UHFFFAOYSA-N
XLogP11.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.63
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
bis(2-methylphenyl)-naphthalen-1-ylphosphane
CID 90108278
difluoro(naphthalen-1-yl)phosphane
CID 102048113
CID 11377421
CID 11377421
1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane
CID 88727520
CID 11520809
CID 11520809
CID 134991203
CID 134991203
CID 62706137
CID 62706137
CID 10959964
CID 10959964
[1-[2-(dinaphthalen-1-ylphosphanylmethyl)naphthalen-1-yl]naphthalen-2-yl]methyl-dinaphthalen-1-ylphosphane
CID 100943233
(5-tert-butylsulfanylcyclopenta-1,3-dien-1-yl)-dinaphthalen-1-ylphosphane
CID 102357322
[dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane
CID 85293933

Frequently Asked Questions

What is the IUPAC name of CID 72945837?
The IUPAC name of CID 72945837 (CID 72945837) is not available.
What is the SMILES notation for CID 72945837?
The canonical SMILES for CID 72945837 is [CH]1[CH][CH][C](P(c2cccc3ccccc23)c2cccc3ccccc23)[CH]1.[CH]1[CH][CH][C](P(c2cccc3ccccc23)c2cccc3ccccc23)[CH]1.[Fe+2].
What is the InChIKey of CID 72945837?
The InChIKey is LNLSYWCDHOGMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H18P.Fe/c2*1-5-15-22-19(9-1)11-7-17-24(22)26(21-13-3-4-14-21)25-18-8-12-20-10-2-6-16-23(20)25;/h2*1-18H;/q;;+2.
What are the key properties of CID 72945837?
CID 72945837 has a molecular weight of 754.63 g/mol, XLogP of 11.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 72945837 is sourced from PubChem (CID 72945837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).