5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene

C36H30 — CID 2818495

IUPAC5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=CC2C3CCC(C3=C(c3ccccc3)c3ccccc3)C2C1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H30/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)31-23-21-29-30-22-24-32(35(29)31)36(30)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-21,23,29-30,32,35H,22,24H2
InChIKeyCZXSDGLQGVDPKP-UHFFFAOYSA-N
MW462.64 g/mol
LogP8.83
Rot. Bonds4

About 5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene

5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 2818495) has the molecular formula C36H30 and a molecular weight of 462.64 g/mol. Its IUPAC name is 5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene
PubChem CID2818495
Molecular FormulaC36H30
Molecular Weight462.64 g/mol
Exact Mass462.23
IUPAC Name5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=CC2C3CCC(C3=C(c3ccccc3)c3ccccc3)C2C1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H30/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)31-23-21-29-30-22-24-32(35(29)31)36(30)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-21,23,29-30,32,35H,22,24H2
InChIKeyCZXSDGLQGVDPKP-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of 5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene (CID 2818495) is 5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for 5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for 5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene is C1=CC2C3CCC(C3=C(c3ccccc3)c3ccccc3)C2C1=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is CZXSDGLQGVDPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)31-23-21-29-30-22-24-32(35(29)31)36(30)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-21,23,29-30,32,35H,22,24H2.
What are the key properties of 5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene?
5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 462.64 g/mol, XLogP of 8.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dibenzhydrylidenetricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 2818495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).