8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene

C23H22 — CID 134902900

IUPAC8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene
SMILESC1=CC2C(=C1)C1CC(c3ccccc3)C2CC1c1ccccc1
InChIInChI=1S/C23H22/c1-3-8-16(9-4-1)20-14-23-19-13-7-12-18(19)22(20)15-21(23)17-10-5-2-6-11-17/h1-13,18,20-23H,14-15H2
InChIKeyQBNJRPMOUZSNCJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.71
Rot. Bonds2

About 8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene

8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene (PubChem CID 134902900) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene.

Molecular Properties

Compound Name8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene
PubChem CID134902900
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene
SMILESC1=CC2C(=C1)C1CC(c3ccccc3)C2CC1c1ccccc1
InChIInChI=1S/C23H22/c1-3-8-16(9-4-1)20-14-23-19-13-7-12-18(19)22(20)15-21(23)17-10-5-2-6-11-17/h1-13,18,20-23H,14-15H2
InChIKeyQBNJRPMOUZSNCJ-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
[(1S,2S)-2-[(1R,2S)-2-phenylcyclopropyl]cyclopropyl]methanol
CID 11137881
CID 119077292
CID 119077292
[(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene
CID 134846677
CID 102445902
CID 102445902
(6-bromocyclohexa-2,4-dien-1-yl)benzene
CID 126636127
tricyclo[5.2.1.02,6]deca-2,4-dien-8-ol
CID 175470374
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
2-[(1S,2R)-2-phenylcyclopropyl]pyridine
CID 124647097
6-phenyl-3-oxabicyclo[3.2.0]heptane
CID 73299099
(1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 90760686
4,5-diphenylcyclohex-2-en-1-one
CID 12617897

Frequently Asked Questions

What is the IUPAC name of 8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene?
The IUPAC name of 8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene (CID 134902900) is 8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene.
What is the SMILES notation for 8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene?
The canonical SMILES for 8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene is C1=CC2C(=C1)C1CC(c3ccccc3)C2CC1c1ccccc1.
What is the InChIKey of 8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene?
The InChIKey is QBNJRPMOUZSNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22/c1-3-8-16(9-4-1)20-14-23-19-13-7-12-18(19)22(20)15-21(23)17-10-5-2-6-11-17/h1-13,18,20-23H,14-15H2.
What are the key properties of 8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene?
8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene has a molecular weight of 298.43 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diphenyltricyclo[5.2.2.02,6]undeca-2,4-diene is sourced from PubChem (CID 134902900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).