5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene

C16H14 — CID 101465899

IUPAC5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene
SMILESC1=CC(=C(C2C=CC=C2)C2C=CC=C2)C=C1
InChIInChI=1S/C16H14/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h1-14H
InChIKeyRSMUBKVASXVZDM-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.89
Rot. Bonds2

About 5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene

5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene (PubChem CID 101465899) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene
PubChem CID101465899
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene
SMILESC1=CC(=C(C2C=CC=C2)C2C=CC=C2)C=C1
InChIInChI=1S/C16H14/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h1-14H
InChIKeyRSMUBKVASXVZDM-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene?
The IUPAC name of 5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene (CID 101465899) is 5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene.
What is the SMILES notation for 5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene?
The canonical SMILES for 5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene is C1=CC(=C(C2C=CC=C2)C2C=CC=C2)C=C1.
What is the InChIKey of 5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene?
The InChIKey is RSMUBKVASXVZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h1-14H.
What are the key properties of 5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene?
5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene has a molecular weight of 206.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[di(cyclopenta-2,4-dien-1-yl)methylidene]cyclopenta-1,3-diene is sourced from PubChem (CID 101465899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).