4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene

C26H24 — CID 117069727

IUPAC4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene
SMILESCC(C)=C1C2CCC1C1=CC(=C(c3ccccc3)c3ccccc3)C=C12
InChIInChI=1S/C26H24/c1-17(2)25-21-13-14-22(25)24-16-20(15-23(21)24)26(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-16,21-22H,13-14H2,1-2H3
InChIKeyRSZGWZVKHDCUJO-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.73
Rot. Bonds2

About 4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene

4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene (PubChem CID 117069727) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene.

Molecular Properties

Compound Name4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene
PubChem CID117069727
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene
SMILESCC(C)=C1C2CCC1C1=CC(=C(c3ccccc3)c3ccccc3)C=C12
InChIInChI=1S/C26H24/c1-17(2)25-21-13-14-22(25)24-16-20(15-23(21)24)26(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-16,21-22H,13-14H2,1-2H3
InChIKeyRSZGWZVKHDCUJO-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 13110816
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2-benzhydrylidenecyclobutan-1-ol
CID 46210193
(1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol
CID 21120382
1,5-dibenzhydrylidenepentalene
CID 101439487
4-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]-2,6-dimethylphenolate
CID 102505882
[(3-ethylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene;prop-1-ene
CID 143525147
CID 10801751
CID 10801751
(3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene
CID 22327814
11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 627836
4-benzhydrylidenecyclohexa-2,5-dien-1-imine
CID 67679531

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene?
The IUPAC name of 4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene (CID 117069727) is 4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene.
What is the SMILES notation for 4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene?
The canonical SMILES for 4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene is CC(C)=C1C2CCC1C1=CC(=C(c3ccccc3)c3ccccc3)C=C12.
What is the InChIKey of 4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene?
The InChIKey is RSZGWZVKHDCUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-17(2)25-21-13-14-22(25)24-16-20(15-23(21)24)26(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-16,21-22H,13-14H2,1-2H3.
What are the key properties of 4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene?
4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene has a molecular weight of 336.48 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene is sourced from PubChem (CID 117069727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).