11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C24H18 — CID 627836

IUPAC11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESC1=CC2C(=C(c3ccccc3)c3ccccc3)C1c1ccccc12
InChIInChI=1S/C24H18/c1-3-9-17(10-4-1)23(18-11-5-2-6-12-18)24-21-15-16-22(24)20-14-8-7-13-19(20)21/h1-16,21-22H
InChIKeyDUTRHTRSYIPVPQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.94
Rot. Bonds2

About 11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 627836) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is 11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID627836
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Name11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESC1=CC2C(=C(c3ccccc3)c3ccccc3)C1c1ccccc12
InChIInChI=1S/C24H18/c1-3-9-17(10-4-1)23(18-11-5-2-6-12-18)24-21-15-16-22(24)20-14-8-7-13-19(20)21/h1-16,21-22H
InChIKeyDUTRHTRSYIPVPQ-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of 11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 627836) is 11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for 11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for 11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is C1=CC2C(=C(c3ccccc3)c3ccccc3)C1c1ccccc12.
What is the InChIKey of 11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is DUTRHTRSYIPVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-3-9-17(10-4-1)23(18-11-5-2-6-12-18)24-21-15-16-22(24)20-14-8-7-13-19(20)21/h1-16,21-22H.
What are the key properties of 11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 306.41 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 627836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).