(2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene

C25H22 — CID 134979898

IUPAC(2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene
SMILESC[C@@]12c3ccccc3[C@@]3(C)C[C@]1(c1ccccc1)C23c1ccccc1
InChIInChI=1S/C25H22/c1-22-17-24(18-11-5-3-6-12-18)23(2,21-16-10-9-15-20(21)22)25(22,24)19-13-7-4-8-14-19/h3-16H,17H2,1-2H3/t22-,23-,24-,25?/m1/s1
InChIKeyNQIGAWDVFQVYTN-AWYPOSSQSA-N
MW322.45 g/mol
LogP5.51
Rot. Bonds2

About (2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene

(2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene (PubChem CID 134979898) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene.

Molecular Properties

Compound Name(2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene
PubChem CID134979898
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name(2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene
SMILESC[C@@]12c3ccccc3[C@@]3(C)C[C@]1(c1ccccc1)C23c1ccccc1
InChIInChI=1S/C25H22/c1-22-17-24(18-11-5-3-6-12-18)23(2,21-16-10-9-15-20(21)22)25(22,24)19-13-7-4-8-14-19/h3-16H,17H2,1-2H3/t22-,23-,24-,25?/m1/s1
InChIKeyNQIGAWDVFQVYTN-AWYPOSSQSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(1-methyl-2,2-diphenylcyclopropyl)benzene
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Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene?
The IUPAC name of (2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene (CID 134979898) is (2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene.
What is the SMILES notation for (2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene?
The canonical SMILES for (2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene is C[C@@]12c3ccccc3[C@@]3(C)C[C@]1(c1ccccc1)C23c1ccccc1.
What is the InChIKey of (2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene?
The InChIKey is NQIGAWDVFQVYTN-AWYPOSSQSA-N. The full InChI is InChI=1S/C25H22/c1-22-17-24(18-11-5-3-6-12-18)23(2,21-16-10-9-15-20(21)22)25(22,24)19-13-7-4-8-14-19/h3-16H,17H2,1-2H3/t22-,23-,24-,25?/m1/s1.
What are the key properties of (2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene?
(2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene has a molecular weight of 322.45 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene is sourced from PubChem (CID 134979898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).