(1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron

C24H20Fe-6 — CID 175496162

IUPAC(1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron
SMILESC(=C(c1ccccc1)[c-]1cccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H15.C5H5.Fe/c1-3-9-16(10-4-1)15-19(18-13-7-8-14-18)17-11-5-2-6-12-17;1-2-4-5-3-1;/h1-15H;1-5H;/q-1;-5;
InChIKeyZXMOCBCNTHRJMU-UHFFFAOYSA-N
MW364.27 g/mol
LogP6.40
Rot. Bonds3

About (1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron

(1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron (PubChem CID 175496162) has the molecular formula C24H20Fe-6 and a molecular weight of 364.27 g/mol. Its IUPAC name is (1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron.

Molecular Properties

Compound Name(1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron
PubChem CID175496162
Molecular FormulaC24H20Fe-6
Molecular Weight364.27 g/mol
Exact Mass364.09
IUPAC Name(1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron
SMILESC(=C(c1ccccc1)[c-]1cccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H15.C5H5.Fe/c1-3-9-16(10-4-1)15-19(18-13-7-8-14-18)17-11-5-2-6-12-17;1-2-4-5-3-1;/h1-15H;1-5H;/q-1;-5;
InChIKeyZXMOCBCNTHRJMU-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.27
LogP ≤ 56.40
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': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-cyclopenta-2,4-dien-1-yl-2-oxo-4-phenylbut-3-enal;cyclopentane;iron
CID 174742914
CID 173126547
CID 173126547
2,2-difluoroethenylbenzene;1,1-difluoroprop-1-ene
CID 90783714
N-[(Z)-1,2-diphenylethenyl]-N-phenylaniline
CID 67853928
CID 172843956
CID 172843956
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
CID 22765483
chloro-[(Z)-1,2-diphenylethenyl]mercury
CID 12746164
chloro(1,2-diphenylethenyl)silane
CID 123632662
CID 11750295
CID 11750295
N-(1,2-diphenylethenyl)-N-methylaniline
CID 76766210

Frequently Asked Questions

What is the IUPAC name of (1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron?
The IUPAC name of (1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron (CID 175496162) is (1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron.
What is the SMILES notation for (1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron?
The canonical SMILES for (1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron is C(=C(c1ccccc1)[c-]1cccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of (1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron?
The InChIKey is ZXMOCBCNTHRJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15.C5H5.Fe/c1-3-9-16(10-4-1)15-19(18-13-7-8-14-18)17-11-5-2-6-12-17;1-2-4-5-3-1;/h1-15H;1-5H;/q-1;-5;.
What are the key properties of (1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron?
(1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron has a molecular weight of 364.27 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopenta-2,4-dien-1-yl-2-phenylethenyl)benzene;cyclopentane;iron is sourced from PubChem (CID 175496162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).